data_2eei_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 2eei _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 ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.781 0.242 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -104.17 133.98 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -86.02 115.71 23.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.03 97.83 8.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.64 105.27 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.78 143.49 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -135.51 111.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -41.38 129.12 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.8 -56.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.01 118.28 2.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.49 -92.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.4 t -116.18 155.39 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -50.21 176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.88 15.22 63.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -123.42 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -141.14 137.02 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.37 147.61 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 12.3 ptmt -152.07 146.38 25.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 64.7 p -97.15 126.28 42.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.41 160.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -156.85 172.34 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -80.06 133.31 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 13.8 t -119.98 -43.17 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.72 113.1 25.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.01 91.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 99.1 m -47.42 138.84 8.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 150.68 68.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.208 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.9 pm0 34.41 43.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.57 -166.31 16.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 14' ' ' LEU . 96.2 t -62.18 -38.41 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -62.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.3 tpp -49.53 -23.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -81.76 -38.33 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.44 -23.73 64.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 33.11 6.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.86 123.79 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.26 167.43 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.42 178.16 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 47.37 37.35 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -108.68 111.58 23.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.84 125.89 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.63 137.34 56.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.2 mm -110.1 -36.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -173.84 145.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -117.84 131.19 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 47.51 29.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.06 22.39 42.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.71 104.25 7.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -45.33 121.63 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' GLU . 6.2 m -118.55 5.65 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' VAL . 5.2 mm-40 -38.06 -55.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.43 38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 135.41 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -69.95 144.52 52.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.0 t-160 -41.27 -47.2 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 66.4 mm-40 -64.25 -41.12 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.25 -63.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 p -42.56 -32.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -81.02 -37.66 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mtpm? -70.32 -27.94 64.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.07 -49.12 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -66.01 -39.86 90.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 40.9 mtmt -71.92 -41.51 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 78' ' ' LYS . 2.1 m -36.22 -39.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.31 -116.35 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -110.11 -33.85 6.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -117.32 157.92 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 15.7 m -148.9 159.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 ttm -116.75 104.62 11.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.9 m-85 -98.3 130.04 44.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.6 tp -122.95 115.26 21.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.5 169.99 16.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.65 154.81 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.26 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -66.87 -31.16 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.774 0.239 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -108.69 129.01 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -84.23 113.91 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -100.07 97.93 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.1 100.33 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.8 mm? -83.48 150.37 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.8 t -143.94 122.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -53.77 117.09 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -121.69 -57.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.49 125.82 4.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 36.99 -111.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 t -86.41 145.27 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 23.1 m-85 -42.92 -73.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.965 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.74 -56.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CD1' ' HE1' ' A' ' 36' ' ' MET . 49.4 p90 -56.55 176.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 m -137.09 142.23 42.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 mt -112.99 132.24 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -145.13 144.32 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.3 p -100.29 136.13 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.15 163.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -155.49 148.21 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 23' ' ' PHE . 13.6 mmt -59.65 128.63 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 t -117.43 -41.54 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.51 116.08 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mm -108.04 89.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.7 m -37.86 127.52 0.97 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.504 0.668 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.67 36.07 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 55.72 38.18 29.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.99 -162.36 13.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 14' ' ' LEU . 85.4 t -67.9 -43.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.65 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 tpp -47.27 -22.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -35.63 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.19 -12.81 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.43 33.94 15.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 6.7 p -103.53 129.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.45 169.53 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -83.78 178.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' MET . 91.6 m-20 39.86 28.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 52' ' ' ALA . 7.2 m-20 -91.69 110.62 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -51.67 113.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.93 130.19 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mm -94.38 -52.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.7 pt-20 -153.58 177.51 10.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 58' ' ' GLU . 48.0 t -142.81 130.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 22.2 p30 43.77 31.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.75 41.13 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mm-40 -145.47 112.16 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.69 114.35 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.55 10.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -37.69 -56.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.37 41.69 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.11 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -67.25 151.55 47.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -49.77 -36.85 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.22 -29.61 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.45 -39.53 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.17 -54.95 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -47.18 -32.81 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.87 -32.43 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 27.5 mttp -71.83 -31.38 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.53 -45.7 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -65.99 -52.84 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -56.37 -43.67 79.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.5 t -34.26 -44.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.29 -109.38 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.6 m -110.97 -42.24 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -109.29 147.98 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 85' ' ' PHE . 15.6 m -135.37 169.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 30.1 ttm -127.76 107.5 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 83' ' ' VAL . 68.3 m-85 -102.53 125.0 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tp -116.48 115.21 25.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.22 174.23 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.3 t -119.62 145.79 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -63.33 127.09 29.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.41 -39.74 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -97.53 151.18 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.1 tm? -106.58 109.9 21.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.6 m -96.07 97.98 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.16 104.14 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.8 mm? -89.37 147.52 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.7 t -144.93 119.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 36.7 mttp -49.51 104.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -101.7 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.78 133.32 7.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.2 -103.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -119.21 157.57 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 98.0 m-85 -48.96 167.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.36 42.18 1.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 36.8 p90 -151.15 151.41 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -128.62 146.94 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.49 150.83 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 13.2 ptmt -153.0 151.62 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -113.68 132.0 55.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.24 165.77 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 35' ' ' TYR . 3.7 p90 -155.58 140.71 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.5 mmt -51.89 118.96 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.449 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 8.8 t -109.12 -44.79 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -107.49 109.25 20.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.0 mm -109.55 90.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 84.1 m -44.22 138.67 3.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.691 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.74 135.95 31.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 45.02 48.31 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.23 -174.15 16.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 14' ' ' LEU . 95.7 t -49.5 -38.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -75.52 -69.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpp -43.01 -36.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -68.37 -40.3 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.31 65.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.23 37.36 3.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.5 p -108.02 122.36 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.96 168.5 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.39 159.77 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.2 m-20 57.27 28.05 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 87.6 m-20 -84.8 108.74 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.67 102.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -53.67 140.99 27.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -111.89 -48.65 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.3 pt-20 -152.9 173.31 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 56' ' ' LEU . 83.0 t -142.19 109.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 70.81 28.23 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.93 20.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -137.81 117.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -59.51 116.81 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.3 21.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.15 -57.71 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -13.37 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.58 160.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 58.5 m -95.56 145.24 25.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -39.13 -49.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -55.38 -41.82 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 66.6 mm-40 -64.21 -38.07 89.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.75 -65.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.8 p -39.69 -31.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.98 -44.05 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.6 -25.06 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -76.12 -49.1 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.48 -55.27 29.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -54.13 -44.05 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.3 t -34.14 -41.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.76 -105.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 m -119.83 -37.69 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -111.86 150.97 29.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 85' ' ' PHE . 3.2 m -140.1 163.36 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 29.9 ttm -120.7 107.74 13.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' HG21 ' A' ' 83' ' ' VAL . 46.8 m-85 -100.8 123.27 44.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 tp -115.32 112.53 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -134.8 171.66 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.82 147.44 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.81 130.39 43.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -55.34 -28.17 52.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 2.2 pt-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.731 0.221 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.07 147.99 31.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 2.1 tm? -101.73 118.32 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.7 m -106.61 109.15 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.53 104.53 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -85.46 139.7 31.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.13 124.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -62.47 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.19 -58.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.1 125.42 6.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.57 -115.97 8.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 1.5 t -105.93 -68.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.875 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 20' ' ' SER . 41.5 m-85 -166.08 -176.3 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.85 27.8 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 52.3 p90 -138.47 149.2 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 m -120.32 145.72 46.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.04 138.46 50.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -156.85 132.96 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 70.8 p -75.01 147.42 40.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.63 166.76 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 8.0 p90 -157.06 148.22 21.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASP . 9.1 mmt -58.54 119.88 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -102.36 -44.58 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -115.52 115.8 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' THR . 50.1 mm -108.62 88.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ILE . 62.6 m -33.74 135.93 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.5 Cg_endo -69.8 151.09 68.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' PRO . 57.2 mt-30 33.85 40.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.05 -173.29 19.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 14' ' ' LEU . 91.1 t -56.37 -38.48 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . . . -69.64 -68.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.2 tpp -46.4 -29.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -77.25 -37.11 53.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.38 66.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.48 32.98 3.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 45' ' ' ALA . 3.4 p -106.18 127.41 61.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.03 158.78 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.69 164.24 26.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' MET . 3.7 m-20 52.43 29.33 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 23.6 t-160 -53.32 114.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.14 132.58 46.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.6 mm -98.19 -52.83 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HB2' ' C ' ' A' ' 62' ' ' GLU . 15.1 pt-20 -155.15 164.16 39.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.36 112.48 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 64.51 32.19 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 45.04 7.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 6.9 tt0 -146.04 110.03 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 65' ' ' GLU . 5.3 t-20 -55.77 105.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.1 2.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HG2' ' ND2' ' A' ' 63' ' ' ASN . 0.1 OUTLIER -57.52 -18.41 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.65 2.57 11.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.34 158.27 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 p -76.25 173.09 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 18.9 t-160 -70.89 -35.74 72.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.94 -25.95 61.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -27.55 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.82 -53.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.68 -48.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 12.4 pt-20 -63.96 -45.6 88.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 33.7 mttp -53.51 -44.99 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.96 -48.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -54.46 -40.81 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 15.9 mmtt -67.48 -31.9 72.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.469 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 12.5 p -34.14 -54.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.65 -88.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -121.28 -52.07 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.373 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -113.82 158.49 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 85' ' ' PHE . 14.2 m -139.46 162.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.424 ' CG ' HD22 ' A' ' 11' ' ' LEU . 20.9 ttm -121.03 101.23 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HG21 ' A' ' 83' ' ' VAL . 62.0 m-85 -95.81 134.45 38.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.5 116.0 23.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.32 173.54 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.96 148.61 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.95 117.24 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 14.2 pttm -39.27 -45.33 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.8 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.832 0.264 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -120.42 131.4 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.1 tm? -84.4 115.77 22.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.93 97.93 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -84.96 103.04 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.56 140.0 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.81 142.53 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.28 103.67 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -117.74 -38.04 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -115.09 176.56 16.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.86 -32.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.9 m -163.28 162.62 25.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 85.8 m-85 -52.14 174.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.35 36.58 4.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 42.1 p90 -146.11 163.24 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 m -128.03 160.62 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 71.3 mt -132.61 136.63 46.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.88 143.85 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -100.34 128.21 46.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -117.65 164.2 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -156.97 150.13 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.0 mmt -61.19 128.89 38.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 38' ' ' ASP . 10.0 t -117.81 -43.12 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 37' ' ' THR . 4.5 t0 -111.6 112.84 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.86 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.5 m -51.79 126.33 32.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.56 0.695 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.7 26.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.633 2.222 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 59.73 39.6 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 -155.89 11.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.52 -39.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.91 -58.97 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 tpp -48.69 -22.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -82.92 -41.98 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.22 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 38.2 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.35 127.86 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.0 162.31 13.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -72.67 -176.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.1 OUTLIER 38.89 31.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 6.0 m-20 -96.29 108.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.13 108.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 129.22 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -97.82 -49.99 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -161.85 176.71 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.34 121.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.52 26.03 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.67 43.6 7.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -141.28 107.16 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.18 101.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.8 m -110.1 16.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.51 -44.73 6.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.9 43.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.75 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.83 158.58 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 25' ' ' LEU . 20.9 t-160 -56.18 -27.43 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -72.1 -32.03 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -36.59 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 88.8 t -75.69 -60.3 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' VAL . 7.5 p -37.01 -34.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -78.13 -48.61 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -54.9 -31.15 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.35 -60.58 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -51.47 -51.52 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 55.0 mttt -55.91 -44.39 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.8 t -34.15 -44.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.41 -106.91 0.88 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -110.68 -41.36 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -108.98 154.98 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 79' ' ' SER . 0.5 OUTLIER -142.77 157.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.5 ttm -119.41 107.7 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 85.3 m-85 -104.2 125.07 50.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.79 119.86 38.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -141.46 174.25 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 158.71 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.87 127.84 34.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -50.49 -18.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.757 0.232 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -121.55 106.87 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -68.5 111.71 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.7 m -99.01 102.52 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.66 102.66 14.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -85.38 144.59 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -144.4 111.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 17.4 mtpt -44.35 106.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.25 -62.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.39 126.48 6.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.24 -100.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -111.11 159.75 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 88.1 m-85 -53.92 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -117.28 33.0 5.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 44.2 p90 -145.12 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -120.73 159.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.88 128.15 43.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -131.4 144.12 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -95.14 143.4 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.153 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.2 169.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.3 p90 -156.94 144.04 18.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.6 mmt -55.05 124.06 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -113.45 -38.88 4.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.52 116.68 29.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.39 88.83 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -40.08 133.51 1.48 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.7 23.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.54 41.85 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.97 -168.35 14.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 14' ' ' LEU . 40.0 t -53.6 -39.14 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -71.39 -72.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -42.86 -31.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -69.2 -42.95 75.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 14' ' ' LEU . . . -64.07 -17.53 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.28 34.62 7.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -103.15 148.62 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.09 163.43 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.04 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.4 t0 47.24 29.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 8.6 m-20 -85.44 109.19 18.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 5.9 t-160 -53.99 114.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -65.27 127.93 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.8 mm -95.8 -51.1 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -157.82 171.66 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -136.23 122.22 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 m120 54.82 26.31 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.1 42.14 6.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -145.93 108.02 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -49.94 113.56 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 56' ' ' LEU . 6.2 m -124.27 17.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -51.81 -34.5 40.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.13 -20.76 13.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.39 126.47 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -64.67 160.39 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -49.01 -36.8 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.2 pt-20 -66.58 -42.22 87.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.5 mm-40 -61.96 -42.04 98.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' LYS . 89.2 t -76.49 -65.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' VAL . 13.5 p -35.16 -35.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.3 mt-10 -77.85 -44.55 26.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 23.4 mttt -60.13 -26.16 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.42 -61.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 20.8 pttt -52.18 -37.78 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 44.4 mtmt -74.33 -36.82 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' LYS . 23.1 p -35.79 -44.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.03 -97.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.0 m -125.08 -42.43 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -109.13 153.51 23.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.18 156.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.8 ttm -117.72 113.09 21.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 51.3 m-85 -108.95 124.27 50.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -110.81 113.27 25.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -136.87 170.08 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 t -115.84 160.34 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.0 118.83 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -21.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.764 0.235 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.64 123.34 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 84' ' ' MET . 2.5 tm? -82.18 112.98 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.13 99.22 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.49 110.95 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 48' ' ' ALA . 1.4 mm? -95.72 142.35 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.17 131.43 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -61.92 99.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -99.76 -60.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -130.95 132.88 7.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.97 -107.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -88.98 165.7 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -66.14 -72.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.28 -48.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 39.7 p90 -68.11 173.37 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m -138.03 154.57 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 64.9 mt -123.04 145.39 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -160.59 137.7 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.0 p -105.91 130.33 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.01 161.0 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.72 147.72 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.557 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 24.0 mmt -60.01 130.76 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 t -120.28 -45.9 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -110.76 112.75 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.4 mm -109.72 84.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 85.7 m -38.44 137.69 0.79 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.83 157.25 60.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 53.5 mt-30 36.07 37.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.34 -175.88 21.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.11 -37.35 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.19 -69.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 tpp -42.75 -26.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -78.21 -37.28 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -68.34 -20.62 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.62 34.91 5.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.9 p -110.54 131.33 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 4.0 pp -102.57 167.52 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' A' ' 51' ' ' LEU . . . -73.1 162.74 29.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 57.85 49.65 11.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 23.0 m-20 -111.13 106.29 15.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -52.6 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 123.32 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -92.98 -49.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 11.6 pt-20 -162.17 172.89 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 85' ' ' PHE . 60.1 t -139.55 119.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 4.0 t-20 62.1 26.58 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.94 34.6 17.87 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.43 106.81 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -50.17 110.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 58' ' ' GLU . 30.6 m -124.27 20.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.26 -42.47 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 42.28 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 139.39 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -68.33 148.63 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.3 t-160 -42.94 -48.72 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 7.6 pt-20 -52.07 -41.67 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 19.0 mt-10 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' LYS . 94.1 t -82.91 -64.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 70' ' ' GLU . 2.8 p -36.18 -41.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.57 -44.48 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' VAL . 33.0 mttt -59.19 -20.37 53.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.7 t -87.55 -62.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -27.71 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.3 mttm -75.41 -49.35 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 26.9 t -33.51 -43.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.94 -90.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t -132.5 -37.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -111.72 146.8 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 32.1 m -140.31 174.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.45 ' CG ' HD22 ' A' ' 11' ' ' LEU . 27.2 ttm -130.56 105.69 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.5 m-85 -98.64 122.37 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -111.0 122.4 47.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -143.03 176.74 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.15 149.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.5 118.32 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 50.5 pttt -38.5 -47.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 17.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.829 0.262 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -104.79 122.94 46.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -81.71 111.93 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.53 109.04 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -94.77 107.02 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -91.65 143.93 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.968 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.21 120.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -53.69 122.98 10.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -122.03 -64.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.8 133.03 6.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 42.28 -113.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 p -83.98 171.37 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -68.26 -71.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.6 34.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -155.84 164.44 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -129.78 163.12 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 16.5 mt -133.83 139.32 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 16.0 ptmt -137.38 155.04 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 69.8 p -112.07 129.28 56.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 m -92.18 159.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -155.32 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.48 136.0 37.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.483 ' HB ' ' CD ' ' A' ' 26' ' ' LYS . 9.1 t -123.62 -47.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -117.06 104.2 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.1 mm -93.6 107.5 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.2 m -60.16 129.38 88.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' GLN . 54.3 Cg_endo -69.74 161.2 46.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.653 2.236 . . . . 0.0 112.377 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' PRO . 27.6 pt20 34.15 46.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 47' ' ' ARG . . . -124.35 -163.14 11.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG12 ' CD1' ' A' ' 14' ' ' LEU . 73.5 t -69.7 -46.98 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.97 -64.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 tpp -45.2 -32.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 14.4 mmp_? -79.26 -36.41 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.98 29.74 11.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.45 129.12 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.9 pp -106.44 169.62 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 51' ' ' LEU . . . -79.66 170.79 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.38 38.47 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 36.2 m-20 -116.23 113.14 22.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -60.27 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . 13.6 mt -75.77 132.23 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -105.31 -41.64 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -173.3 144.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 85' ' ' PHE . 87.4 t -116.37 132.6 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p30 38.05 34.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.11 33.94 13.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.1 mm-40 -132.63 99.76 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -51.93 113.33 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 16.5 m -123.38 30.46 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.32 -46.81 85.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.39 31.47 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.1 165.47 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 8.5 m -96.36 144.5 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.2 t-160 -38.18 -43.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.9 pt-20 -60.64 -42.59 97.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' SER . 56.6 mt-10 -61.63 -40.94 96.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.94 -64.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.3 p -38.43 -35.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -58.09 -34.35 70.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.05 -51.5 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -56.79 -43.95 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.0 mttm -64.34 -39.87 94.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 78' ' ' LYS . 27.5 t -34.41 -46.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.08 -102.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -113.58 -45.54 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -109.5 149.94 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 85' ' ' PHE . 13.8 m -135.96 170.65 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 23.4 ttm -131.92 109.21 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 83' ' ' VAL . 83.2 m-85 -103.22 127.31 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.7 tp -118.74 111.58 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.28 172.38 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.21 145.32 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.54 129.33 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -44.03 -42.23 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.841 0.267 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -111.14 154.77 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -107.27 122.76 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 m -110.34 97.98 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -85.63 108.87 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -97.62 140.88 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.5 t -136.66 127.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -51.43 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -105.08 -52.98 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -116.1 176.5 16.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.59 -41.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 t -136.6 137.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -38.57 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.73 37.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -160.35 165.25 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -137.27 143.34 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -116.64 145.72 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -97.93 150.35 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.32 159.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -156.97 170.68 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.7 mmt -79.73 140.49 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -126.69 -32.52 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -128.12 118.04 22.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.08 117.42 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.6 m -68.19 128.39 93.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 128.61 16.27 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 70.3 35.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.14 -173.47 18.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.22 -52.89 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -60.28 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpp -42.46 -29.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -90.53 -30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.45 23.22 11.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -104.38 136.61 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.59 157.78 31.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 162.08 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 61.51 50.04 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -124.4 108.0 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -61.41 126.68 28.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mt -68.2 136.04 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mm -108.08 -44.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -170.12 142.42 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.14 128.75 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.86 33.06 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.25 31.04 35.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ASN . 21.2 mt-10 -131.46 91.73 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' GLU . 20.0 t-20 -35.45 122.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.16 16.39 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -60.3 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.15 28.77 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.5 138.85 31.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -71.48 167.43 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 3.8 t-160 -62.69 -47.07 85.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 5.3 mm-40 -60.51 -16.27 35.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.73 -37.53 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' VAL . 98.4 t -79.02 -57.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -34.96 -48.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 7.4 pt-20 -68.5 -46.61 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 31.8 mttp -55.05 -27.3 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -78.51 -61.92 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -54.76 -28.76 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 22.9 mttm -81.35 -49.38 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.7 m -35.11 -38.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.17 -137.37 9.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.24 -37.81 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -110.22 148.9 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.6 m -139.1 168.32 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.412 ' CG ' HD22 ' A' ' 11' ' ' LEU . 27.9 ttm -129.25 101.81 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.6 m-85 -95.05 132.06 40.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 tp -120.96 107.79 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.3 167.94 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 146.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -64.51 151.66 43.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 32.4 pttt -65.96 -53.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 12.2 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.774 0.239 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -111.18 119.81 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -79.72 115.81 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.1 m -101.55 97.99 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.21 98.63 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 44' ' ' VAL . 1.5 mm? -84.59 144.96 28.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 t -138.38 118.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -47.62 105.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -106.89 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.32 119.04 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.43 -107.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -101.41 149.82 23.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -47.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.55 41.47 2.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 11.3 p90 -148.32 150.26 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.8 m -114.99 162.75 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 63.1 mt -129.89 142.3 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' CD ' HG22 ' A' ' 37' ' ' THR . 17.4 ptmt -160.13 135.55 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -103.72 129.64 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.02 162.38 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.9 p90 -156.48 148.35 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASP . 22.5 mmt -60.54 127.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.444 HG22 ' CD ' ' A' ' 26' ' ' LYS . 8.9 t -117.47 -49.29 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 37' ' ' THR . 12.4 t70 -105.45 110.8 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.17 93.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.7 m -40.49 126.95 1.81 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 60.87 38.41 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.68 -175.13 16.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.554 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 14' ' ' LEU . 87.8 t -51.73 -47.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.88 -69.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.5 tpp -43.77 -34.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -72.28 -39.42 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.7 68.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.68 2.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -112.82 129.91 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -101.38 171.08 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.46 167.2 22.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' MET . 2.8 m-20 54.87 43.7 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 28.2 m-20 -104.22 104.56 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -51.62 103.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -54.79 131.0 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.45 -49.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -156.24 173.88 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.8 t -141.29 112.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 68.51 30.33 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.4 ' N ' ' OE1' ' A' ' 58' ' ' GLU . . . 80.04 46.56 7.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -150.6 116.66 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -51.69 113.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 56' ' ' LEU . 3.8 m -126.91 25.91 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.56 -44.31 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.8 -4.64 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.89 148.63 47.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 m -83.56 162.4 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.413 ' NE2' ' HB2' ' A' ' 25' ' ' LEU . 16.7 t-160 -52.04 -43.63 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.57 -38.58 75.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.03 -40.38 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' LYS . 84.0 t -72.44 -62.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -41.44 -44.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.5 -33.15 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.5 mttp -73.7 -21.85 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.35 -67.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -47.45 -38.96 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.73 -34.38 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -40.31 -37.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.03 -95.85 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -124.08 -44.62 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -109.2 156.76 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.561 HG22 ' CE2' ' A' ' 85' ' ' PHE . 2.7 m -143.7 171.19 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.432 ' CG ' HD22 ' A' ' 11' ' ' LEU . 20.6 ttm -131.53 109.17 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 83' ' ' VAL . 71.3 m-85 -105.48 125.01 50.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.4 116.32 28.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -140.1 175.15 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.3 t -122.55 157.92 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.55 163.46 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -83.92 -36.8 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.763 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -107.19 146.61 31.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -95.87 113.33 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.9 m -103.17 97.97 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -89.08 111.59 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -95.13 137.57 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.62 118.72 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -45.29 105.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.56 -59.55 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 120.45 3.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.47 -98.6 0.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 6.7 m -119.81 -62.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 20' ' ' SER . 20.9 m-85 -167.69 -177.94 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.27 35.61 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 51.1 p90 -148.53 156.17 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -125.83 150.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 20.5 mt -117.02 147.39 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -154.14 142.13 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.2 p -97.74 138.43 35.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.67 174.58 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 p90 -157.03 146.09 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 17.6 mmt -60.56 126.7 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 HG21 ' CD ' ' A' ' 26' ' ' LYS . 9.6 t -116.88 -42.49 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -109.62 112.41 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CG2' ' HB2' ' A' ' 46' ' ' MET . 39.1 mm -103.48 90.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' ILE . 84.2 m -34.33 131.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.15 14.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 49.53 36.09 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.37 -140.29 11.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.4 t -85.8 -52.83 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.38 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.452 ' HB2' ' CG2' ' A' ' 39' ' ' ILE . 12.7 ttm -40.95 -37.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.9 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.22 -19.43 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.44 29.94 7.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -100.04 131.26 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.5 mt -93.99 162.27 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.6 170.53 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER 47.57 26.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -85.6 103.33 14.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 4.1 t-160 -49.68 113.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.04 142.69 58.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.67 -51.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -161.69 168.56 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.89 127.28 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 79' ' ' SER . 70.3 m-80 51.74 39.2 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 45.44 51.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 38.2 mt-10 -142.84 109.86 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -50.34 115.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 3.2 m -126.98 11.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.75 -53.42 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -89.77 -16.67 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.05 137.43 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -71.21 165.59 23.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 3.7 t-160 -59.24 -44.39 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -59.2 -29.31 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' OE1' ' CA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -75.47 -37.1 60.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 84.0 t -76.78 -60.11 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 72' ' ' VAL . 5.8 p -33.82 -54.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.16 -43.68 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.8 mttp -56.43 -33.28 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.38 -62.21 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.55 -34.53 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 40.6 mttt -68.34 -46.04 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.452 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 34.5 t -34.23 -41.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.61 -119.8 3.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -91.28 -53.48 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.53 159.56 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 85' ' ' PHE . 23.2 m -138.01 168.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.416 ' CG ' HD22 ' A' ' 11' ' ' LEU . 26.3 ttm -123.86 101.26 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' HG21 ' A' ' 83' ' ' VAL . 53.4 m-85 -97.04 122.43 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.27 118.12 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -140.83 172.3 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.79 155.77 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 159.77 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' NZ ' ' O ' ' A' ' 90' ' ' LYS . 3.1 tptp -79.34 -32.62 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.79 0.246 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.59 140.44 39.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 11' ' ' LEU . 2.8 tm? -96.08 116.3 28.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -102.25 98.23 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.82 104.15 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 48' ' ' ALA . 3.4 mm? -93.68 144.06 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' ' 14' ' ' LEU . 89.0 t -142.32 118.66 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -48.94 118.65 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.16 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.26 137.62 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.73 -110.43 0.46 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 m -117.87 162.82 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -55.84 162.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 45' ' ' ALA . . . -92.22 31.24 6.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 17.7 p90 -145.51 150.35 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 m -130.1 143.67 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 31.4 mt -106.36 157.67 17.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -162.81 151.25 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -103.23 126.25 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 25' ' ' LEU . 69.1 t -98.26 145.84 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -153.59 144.53 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 14.8 mmt -59.1 132.49 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 38' ' ' ASP . 15.1 t -116.52 -41.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' N ' HG21 ' A' ' 37' ' ' THR . 20.9 t70 -112.09 114.39 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mm -110.35 87.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -41.27 129.59 2.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.12 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 56.1 39.18 30.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.83 179.29 16.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -48.8 -30.13 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 22' ' ' GLY . . . -76.99 -68.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpp -46.87 -24.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -36.1 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -73.16 -18.93 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.5 40.91 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.57 125.75 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.1 mt -91.85 159.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 164.01 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.4 m-20 55.86 25.39 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.11 114.61 25.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -55.81 112.95 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -67.04 105.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.45 -54.18 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -155.2 172.7 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 56' ' ' LEU . 96.4 t -138.15 106.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER 69.44 36.9 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 36.93 45.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -133.68 103.82 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -50.37 107.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 35.0 m -121.78 13.62 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' VAL . 23.3 mt-10 -38.47 -47.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -112.05 43.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.73 163.09 12.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.2 t -94.75 155.7 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.414 ' NE2' ' HB2' ' A' ' 25' ' ' LEU . 4.6 t-160 -50.4 -35.14 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.18 -29.0 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.68 -33.02 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.2 t -83.47 -55.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.1 p -41.52 -36.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.6 -44.52 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 23.7 mttp -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.4 t -86.05 -48.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -66.78 -48.45 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.9 mtmt -59.49 -43.3 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.0 t -35.15 -42.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.26 -114.25 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -100.68 -49.6 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -109.09 160.58 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 2.6 m -140.95 165.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.2 ttm -119.67 107.65 13.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 63.1 m-85 -101.63 127.88 48.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 tp -119.26 114.0 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 172.39 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.12 148.74 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.13 119.21 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -24.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.779 0.241 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -101.24 129.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.76 103.28 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.36 99.58 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -82.54 99.37 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD11 ' CG1' ' A' ' 44' ' ' VAL . 3.5 mm? -87.41 141.87 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 t -140.46 135.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -60.24 119.8 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -126.85 -44.9 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -124.83 176.23 17.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -36.7 -48.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -128.33 138.14 52.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -44.05 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.63 35.46 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 10.2 p90 -158.03 153.03 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 m -124.35 159.25 30.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.12 126.9 42.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 37' ' ' THR . 30.2 pttt -127.02 153.8 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -100.24 147.34 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.54 -179.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.0 160.04 38.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.9 mmt -64.23 128.04 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 26' ' ' LYS . 1.3 t -142.47 161.97 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 49.59 44.22 24.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 52' ' ' ALA . 24.4 mm -51.56 118.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -66.78 121.21 76.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.38 13.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 71.22 50.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.84 -173.63 12.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' CG1' HD11 ' A' ' 14' ' ' LEU . 61.3 t -54.86 -36.09 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.08 -70.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 tpp -44.79 -26.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -83.52 -38.51 21.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.7 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 31.06 5.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 p -101.35 125.74 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.9 mt -94.02 144.93 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 39' ' ' ILE . . . -64.53 164.13 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.33 33.36 22.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 1.2 m-20 -98.31 109.61 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -54.44 110.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -58.26 132.85 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.97 -50.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -159.83 176.3 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -143.0 124.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 79' ' ' SER . 59.7 m-20 52.3 32.52 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.96 35.13 22.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -131.41 109.36 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -58.75 109.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 67' ' ' ALA . 3.7 m -125.91 17.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -39.59 -42.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -121.69 48.3 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . . . -101.56 144.25 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.1 m -62.1 149.61 40.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -56.56 -24.58 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 42.4 mm-40 -84.63 -22.44 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.26 -38.49 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.8 -57.33 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 70' ' ' GLU . 5.3 p -38.16 -48.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.0 pt-20 -69.55 -44.53 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 25.5 mttm -55.73 -38.06 69.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.05 -45.95 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -63.96 -53.19 54.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.3 mttm -48.64 -40.74 28.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.461 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 48.1 t -33.87 -48.0 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 -107.72 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 m -99.25 -50.8 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.532 ' H ' ' NE ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -114.13 164.81 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.555 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 5.6 m -140.86 167.75 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.3 ttm -126.43 113.05 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 38.7 m-85 -107.08 132.4 53.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 111.31 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -134.85 176.49 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -110.0 152.51 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.5 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -23.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.808 0.253 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -114.7 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.6 tm? -84.19 113.81 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.59 100.31 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -87.08 103.57 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -89.81 136.1 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.3 t -129.24 132.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -59.17 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -103.06 -37.41 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -131.82 175.09 19.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.51 -48.94 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -125.33 137.09 54.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -42.32 -64.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.33 30.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -151.01 151.11 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -122.83 144.44 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.88 142.37 46.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 10.6 ptmt -146.19 152.08 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -104.36 145.63 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.73 171.44 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.02 147.93 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.8 mmt -61.73 134.36 56.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.454 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 9.0 t -122.21 -40.63 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 37' ' ' THR . 8.4 t0 -116.21 116.24 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.43 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.0 m -45.17 126.39 5.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.22 32.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 58.36 51.03 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.33 -160.94 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' HD12 ' A' ' 14' ' ' LEU . 87.2 t -67.05 -42.26 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.11 -63.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.2 tpp -49.44 -22.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -88.13 -33.48 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.86 -22.37 63.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.62 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.463 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.5 p -106.09 138.53 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -113.58 170.92 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.33 165.61 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.3 m-20 51.89 50.61 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 16.6 m-20 -114.54 106.73 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.59 100.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.66 130.76 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -96.69 -51.22 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.21 169.32 25.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 85' ' ' PHE . 49.2 t -137.77 110.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 3.5 t-20 71.44 29.78 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.55 41.92 9.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.49 115.65 8.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.8 109.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.53 19.72 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -49.82 -40.0 40.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -122.21 41.67 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.07 136.59 43.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -61.61 143.81 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.45 -40.79 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.0 -34.52 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.53 -43.28 81.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' LYS . 99.2 t -74.12 -61.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 p -38.9 -38.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -73.94 -43.2 59.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.1 mttp -61.65 -21.94 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.21 -57.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -62.08 -30.76 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 79' ' ' SER . 24.3 mttm -73.17 -43.47 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 78' ' ' LYS . 3.7 t -34.01 -43.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 -101.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.4 m -117.03 -44.43 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -109.0 155.64 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 85' ' ' PHE . 8.5 m -140.91 170.09 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.3 ttm -130.8 105.49 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.4 m-85 -99.49 128.49 45.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -120.81 114.77 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.86 175.67 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.09 146.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.2 125.78 25.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -42.33 -44.7 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.794 0.248 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -112.36 129.74 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 11' ' ' LEU . 1.1 tm? -81.78 105.45 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.54 100.02 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.9 98.66 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' CG1' ' A' ' 44' ' ' VAL . 1.2 mm? -84.52 136.49 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' C ' ' A' ' 14' ' ' LEU . 47.0 t -140.97 104.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.8 ptpt -42.63 142.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.46 -73.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.81 117.98 4.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.01 -68.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 p -149.71 -176.52 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 3.7 m-85 -66.88 -174.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.48 44.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.501 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.4 p90 -157.44 160.26 38.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -130.94 147.26 52.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -112.41 159.76 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 154.78 25.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 72.0 p -111.62 129.93 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.69 168.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 4.0 p90 -156.54 150.83 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.58 132.58 52.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 38' ' ' ASP . 9.8 t -120.13 -50.67 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' N ' HG21 ' A' ' 37' ' ' THR . 10.5 t70 -105.14 109.7 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 48.6 mm -102.99 84.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 29.8 m -34.17 137.26 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.567 0.698 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.78 138.09 36.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 46.27 44.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.21 -175.0 16.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' HD12 ' A' ' 14' ' ' LEU . 84.1 t -49.2 -43.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . . . -71.3 -65.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 tpp -45.68 -26.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -80.6 -36.71 32.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.16 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.4 7.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 45' ' ' ALA . 5.8 p -96.39 124.95 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.78 162.4 18.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.62 162.08 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.7 25.23 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.12 112.9 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -57.97 109.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.45 121.03 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -83.38 -55.76 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -154.39 171.46 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' CE1' ' A' ' 85' ' ' PHE . 48.9 t -138.01 123.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.41 28.37 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.3 31.96 29.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -129.83 102.22 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -47.33 105.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 17.0 m -117.64 10.78 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' VAL . 21.0 mt-10 -34.38 -44.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -126.19 47.17 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.71 133.47 46.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -50.45 151.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 7.9 t-160 -58.42 -34.36 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.2 -22.12 55.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -79.81 -31.99 40.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' LYS . 86.4 t -85.86 -61.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' VAL . 5.4 p -35.37 -46.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 14.7 pt-20 -67.97 -42.67 80.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 46.5 mttt -54.99 -44.73 74.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.63 -55.22 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -48.02 -50.95 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.4 mmtt -51.02 -53.05 36.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.1 t -33.02 -47.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.8 -106.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -115.54 -15.59 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -133.1 155.12 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -145.99 163.28 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 23.9 ttm -110.85 106.96 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' CE1' HG13 ' A' ' 59' ' ' VAL . 66.2 m-85 -102.44 141.8 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -130.92 113.75 14.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -117.32 150.21 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.2 116.9 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 8.4 ptmt -40.22 -34.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 32.2 mp0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.749 0.229 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -124.3 120.5 32.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -75.09 113.36 12.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.7 m -99.89 97.91 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.55 101.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 45' ' ' ALA . 3.4 mm? -85.56 130.18 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.62 103.56 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.5 ptmm? -49.34 117.84 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 15.3 pt-20 -92.35 -51.61 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.34 132.12 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.95 -88.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t -112.9 175.69 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.617 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 8.3 m-85 -68.89 -175.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.71 43.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 9.7 p90 -163.96 166.5 21.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 m -135.63 143.45 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 mt -99.63 161.78 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' CD ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -162.93 158.48 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -112.87 148.43 34.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.885 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.65 173.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.92 176.63 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.439 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 17.5 mmt -76.23 141.13 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.472 HG23 ' CD ' ' A' ' 26' ' ' LYS . 14.7 t -157.0 154.05 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 57.32 34.03 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.2 mm -42.02 123.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.6 m -77.7 130.56 73.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.29 29.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 59.16 42.99 17.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.04 -171.68 13.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.16 -71.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.442 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . . . -43.32 -63.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 tpt -49.07 -22.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -92.05 -32.7 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -24.22 64.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.12 21.36 7.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 87' ' ' LEU . 10.9 p -96.46 142.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.191 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.38 160.73 22.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 165.47 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 54.85 41.75 31.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 16.7 m-20 -103.65 100.12 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -59.72 124.51 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . 10.7 mt -69.25 124.66 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.4 mm -98.22 -34.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CD ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -175.8 167.34 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.7 t -136.29 135.66 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.0 m-20 36.94 30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . 90.12 36.72 7.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 59' ' ' VAL . 12.4 mp0 -141.43 107.16 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.92 121.16 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 18.6 m -122.72 15.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.85 -59.12 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 25.5 t0 -108.89 40.04 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.5 142.18 31.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -66.03 153.18 42.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -52.63 -40.42 62.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 36.0 mt-10 -68.57 -35.6 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -65.06 -40.55 94.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . 61.0 t -76.91 -62.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 70' ' ' GLU . 9.4 p -35.81 -47.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.44 -45.72 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' VAL . 28.2 mttp -55.14 -42.85 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.84 -53.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -47.32 -46.64 25.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' SER . 36.1 mtmt -69.66 -45.88 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' LYS . 5.0 t -34.76 -41.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.67 -127.71 5.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -100.41 -22.45 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -122.48 148.81 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 3.1 m -146.74 171.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 31.5 ttm -122.91 109.1 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 42.2 m-85 -105.57 128.92 53.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 tp -112.1 103.71 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 50' ' ' VAL . 2.0 mt -116.31 167.56 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.51 150.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.88 145.92 54.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -67.09 -39.43 86.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.761 0.234 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -108.7 129.06 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.4 tm? -89.19 116.16 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.1 m -103.03 98.2 8.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.07 105.83 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD23 ' CB ' ' A' ' 48' ' ' ALA . 1.2 mm? -89.06 150.22 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.67 129.9 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -52.89 117.73 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.8 tt0 -120.64 -60.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -122.34 176.45 16.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.28 -46.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -122.45 129.24 51.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -39.96 -69.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.39 33.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -155.56 149.82 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -101.49 144.91 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 mt -121.96 127.65 50.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -151.84 139.95 20.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.6 p -98.43 163.91 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.09 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.9 p90 -156.74 160.18 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -70.83 137.04 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 t -117.14 -45.48 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -122.63 115.74 22.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -98.81 119.45 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 m -67.72 132.82 92.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.13 27.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.05 42.75 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.3 176.6 16.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 96.2 t -47.18 -52.58 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.6 -61.76 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.9 tpp -53.55 -25.28 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -85.92 -33.09 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -69.97 -28.29 65.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 39.93 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.67 124.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.17 165.98 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 177.75 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 43.64 38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -110.23 118.12 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -66.28 131.29 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 87' ' ' LEU . 5.0 mp -76.12 117.2 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 mm -83.61 -31.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 58' ' ' GLU . 1.6 pp20? -175.44 158.53 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.85 130.66 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 23.6 p30 40.22 38.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.06 45.51 8.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -146.36 114.8 6.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.68 115.43 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.03 4.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -41.11 -41.53 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -115.52 44.66 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 144.05 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -80.01 151.21 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -39.13 -56.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.5 pt-20 -43.53 -42.56 5.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 56.9 mm-40 -67.81 -33.4 74.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' VAL . 76.0 t -78.88 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' VAL . 2.9 p -33.95 -48.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.9 pt-20 -68.37 -46.91 68.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 30.3 mttp -59.33 -14.16 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -93.28 -59.7 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.8 pttt -60.0 -34.75 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 79' ' ' SER . 41.0 mtmt -70.03 -45.6 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.9 t -35.12 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 -123.22 3.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.2 m -104.16 -27.63 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -118.29 147.0 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 m -134.77 163.19 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 11.3 ttm -131.93 108.77 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -101.68 131.06 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . 13.9 tp -116.65 110.22 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -126.81 173.43 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.77 150.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.88 146.98 51.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -69.18 -30.53 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.738 0.224 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -113.64 133.26 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD22 ' CG ' ' A' ' 84' ' ' MET . 3.0 tm? -92.09 116.24 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.7 m -103.28 97.97 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -82.33 102.55 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 14' ' ' LEU . 2.2 mm? -87.11 145.36 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.45 127.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -56.59 100.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -94.7 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.57 117.73 2.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.68 -102.26 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -103.88 145.21 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -46.64 173.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.47 39.32 2.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -144.91 150.55 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.4 m -113.98 138.61 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 70.1 mt -112.14 138.67 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -157.32 140.27 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 p -103.04 155.09 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 25' ' ' LEU . 4.6 p -109.36 159.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -155.3 164.35 38.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.84 135.76 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -121.06 -37.99 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -126.39 115.48 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mm -107.26 90.12 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.8 m -41.39 130.91 2.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.07 44.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.73 2.287 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 54.93 48.24 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.12 -143.0 6.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 14' ' ' LEU . 96.0 t -87.43 -48.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.089 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -61.39 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 tpp -51.37 -19.38 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -86.89 -31.39 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 13.51 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 43.92 95.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 45' ' ' ALA . 14.7 p -113.54 110.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 54' ' ' ASP . 4.2 pp -85.07 164.01 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.78 169.85 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 62.81 40.45 9.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CG ' HD13 ' A' ' 51' ' ' LEU . 60.6 m-20 -117.32 116.21 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -68.12 120.53 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.99 133.15 52.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.77 -27.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CD ' HD21 ' A' ' 86' ' ' LEU . 9.1 pt-20 -175.57 142.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' N ' HG21 ' A' ' 64' ' ' VAL . 78.1 t -112.44 120.47 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 79' ' ' SER . 4.3 t-20 61.72 31.2 18.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.81 22.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -141.36 112.6 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.52 114.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 59' ' ' VAL . 12.5 m -126.51 13.69 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.03 -43.9 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.68 35.74 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.59 145.24 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.0 m -81.92 147.31 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -46.18 -38.63 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -67.41 -30.27 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.79 -30.92 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.13 -58.26 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 p -37.57 -53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.11 -44.97 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.92 -33.06 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.8 t -68.85 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.2 pttt -54.57 -34.91 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 6.5 mtmp? -73.69 -45.01 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.7 m -43.6 -22.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . 122.73 -121.76 4.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -111.45 -33.32 6.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.53 149.34 29.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.7 m -137.26 168.96 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.457 ' CG ' HD22 ' A' ' 11' ' ' LEU . 17.0 ttm -129.97 101.18 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 83' ' ' VAL . 69.0 m-85 -95.83 123.83 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 58' ' ' GLU . 13.1 tp -112.04 110.92 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -126.16 175.62 7.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.9 t -111.9 154.48 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.02 125.88 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -49.07 -35.88 17.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.777 0.241 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -114.2 145.0 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.2 tm? -106.03 103.38 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 m -92.9 97.9 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.19 99.29 8.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.5 mm? -85.0 143.3 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.47 115.2 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -44.18 106.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 26.1 mt-10 -110.55 -41.07 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -118.08 174.91 15.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.95 -32.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' GLY . 60.1 p -159.66 152.06 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.546 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 78.5 m-85 -51.35 172.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.21 32.71 7.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 49.9 p90 -139.99 152.97 46.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -121.07 144.05 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 19.0 mt -108.22 146.02 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 4.1 ptmt -149.53 158.53 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 p -112.83 150.26 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.46 -177.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -157.06 166.54 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -71.75 142.89 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 15.3 t -151.79 163.01 40.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t0 43.79 43.77 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.1 116.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 55.3 m -59.62 136.98 89.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.83 137.74 35.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 46.01 53.73 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.5 177.13 17.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 14' ' ' LEU . 46.1 t -46.97 -31.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -78.65 -63.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 tpp -55.94 -19.46 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -84.58 -34.32 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.16 -14.59 62.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.15 9.5 44.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 45' ' ' ALA . 1.6 p -86.98 137.78 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 pp -118.65 139.91 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.77 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 63.06 55.07 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 8.7 m-20 -124.58 107.39 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -53.49 108.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.52 127.01 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -94.99 -53.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -155.43 171.36 20.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 50.2 t -136.24 115.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 HD22 ' CG1' ' A' ' 83' ' ' VAL . 18.8 m-20 63.95 25.35 13.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.08 34.07 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -134.85 118.87 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.93 106.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.43 6.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.66 -38.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -119.14 45.14 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.5 133.75 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -61.53 151.39 33.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 3.2 t-160 -52.66 -43.72 65.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.99 -24.35 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.16 -28.25 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.39 -54.63 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.4 -54.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -56.39 -42.13 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -63.13 -27.85 69.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.79 -62.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 22.0 pttt -53.69 -39.97 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 31.6 mtmt -69.59 -37.59 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.5 p -33.93 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.49 -88.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -128.43 -48.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -118.92 153.51 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 27.4 m -136.82 173.12 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.2 ttm -124.24 110.78 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 25.7 m-85 -104.91 117.01 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.5 tp -104.75 117.56 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -133.12 177.14 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 89' ' ' ASP . 26.0 t -121.75 155.51 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.414 ' N ' HG11 ' A' ' 88' ' ' VAL . 1.1 m-20 -67.9 126.54 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 5.1 ptmt -50.14 -29.85 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 70.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.79 0.246 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.43 150.77 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -95.37 103.07 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.3 m -89.18 99.2 12.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -87.41 119.37 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' A' ' 48' ' ' ALA . 3.8 mm? -97.04 148.44 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -139.12 112.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -53.65 115.64 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -117.1 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -127.62 120.22 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.54 -103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -83.77 150.36 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -51.37 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.61 -46.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -70.33 170.61 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -131.77 141.33 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.81 134.93 54.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -150.48 129.0 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -80.19 144.22 33.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -89.09 157.51 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.07 172.05 19.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -74.3 129.64 38.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -114.37 -43.1 3.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -120.38 115.12 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -102.58 112.44 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -66.15 122.95 83.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.582 0.706 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 137.49 35.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.34 32.49 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.51 -152.25 11.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.7 t -78.44 -43.84 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.75 -71.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.9 tpp -41.51 -31.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.7 -40.91 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.31 -16.71 62.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.0 27.04 11.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.417 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.28 133.03 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' CG ' ' A' ' 54' ' ' ASP . 2.5 pp -117.91 150.35 39.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 153.96 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 73.65 44.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' CG ' HD12 ' A' ' 51' ' ' LEU . 28.2 m-20 -128.65 104.44 7.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -56.63 125.59 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.04 100.8 3.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mm -67.23 -34.63 70.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 13.8 pt-20 -173.76 156.79 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 85' ' ' PHE . 50.8 t -130.01 137.42 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 48.48 27.51 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.24 59.97 2.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.86 114.99 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -52.81 113.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 58' ' ' GLU . 14.6 m -121.11 16.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -44.31 -47.12 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -118.84 47.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.06 163.66 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.5 p -94.07 150.14 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -45.97 -34.22 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.09 -37.72 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.54 -38.55 87.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' LYS . 90.6 t -78.95 -63.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' VAL . 14.6 p -36.62 -43.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.54 -42.41 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mttp -64.48 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.25 -64.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -51.44 -41.73 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.7 mttt -64.31 -35.37 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.1 p -34.56 -43.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.8 -81.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.8 m -125.51 -43.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -118.62 154.75 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 11' ' ' LEU . 33.1 ttm -134.23 100.84 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 59' ' ' VAL . 97.3 m-85 -101.0 127.07 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HB3' ' CG ' ' A' ' 58' ' ' GLU . 18.3 tp -111.05 108.74 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.37 172.46 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.22 155.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.69 128.15 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.6 pttt -51.61 -29.29 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 89' ' ' ASP . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -123.04 41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -92.6 99.61 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 111.48 0.98 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -100.83 -55.35 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.825 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -129.94 150.73 51.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.61 -125.68 0.99 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.518 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.7 tt0 -60.83 -58.35 19.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.76 175.28 8.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -104.17 133.98 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -86.02 115.71 23.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.03 97.83 8.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.64 105.27 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.78 143.49 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -135.51 111.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -41.38 129.12 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.8 -56.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.01 118.28 2.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.49 -92.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.4 t -116.18 155.39 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -50.21 176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.88 15.22 63.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -123.42 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -141.14 137.02 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.37 147.61 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 12.3 ptmt -152.07 146.38 25.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 64.7 p -97.15 126.28 42.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.6 t -102.25 137.45 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.22 -41.35 3.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -78.79 147.48 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -108.71 121.56 45.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.59 158.49 21.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.41 160.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -156.85 172.34 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -80.06 133.31 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.455 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 13.8 t -119.98 -43.17 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.72 113.1 25.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.01 91.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 99.1 m -47.42 138.84 8.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 150.68 68.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.208 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.9 pm0 34.41 43.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.57 -166.31 16.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 14' ' ' LEU . 96.2 t -62.18 -38.41 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -62.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.3 tpp -49.53 -23.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -81.76 -38.33 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.44 -23.73 64.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 33.11 6.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.86 123.79 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.26 167.43 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.42 178.16 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 47.37 37.35 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -108.68 111.58 23.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.84 125.89 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.63 137.34 56.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.2 mm -110.1 -36.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -173.84 145.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.2 t -117.84 131.19 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 47.51 29.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.06 22.39 42.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.71 104.25 7.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -45.33 121.63 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' GLU . 6.2 m -118.55 5.65 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' VAL . 5.2 mm-40 -38.06 -55.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.43 38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 135.41 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -69.95 144.52 52.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.0 t-160 -41.27 -47.2 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 66.4 mm-40 -64.25 -41.12 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.25 -63.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 p -42.56 -32.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -81.02 -37.66 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mtpm? -70.32 -27.94 64.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.07 -49.12 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -66.01 -39.86 90.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 40.9 mtmt -71.92 -41.51 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 78' ' ' LYS . 2.1 m -36.22 -39.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.31 -116.35 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -110.11 -33.85 6.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -117.32 157.92 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 15.7 m -148.9 159.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 ttm -116.75 104.62 11.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.9 m-85 -98.3 130.04 44.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.6 tp -122.95 115.26 21.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.5 169.99 16.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.65 154.81 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.26 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -66.87 -31.16 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.95 -46.24 21.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 m -57.95 -50.7 72.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -66.32 175.41 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 80.3 mttt -134.06 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -116.84 174.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -64.33 95.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.7 t -96.98 116.84 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' LYS . 10.4 pt-20 -157.95 162.71 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.26 88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 38.2 mttm -50.17 158.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 t -115.13 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.63 -158.32 29.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.18 37.29 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -116.2 134.75 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 m -140.67 143.48 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m 57.46 41.79 25.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -104.75 171.33 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.7 99.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -126.47 160.73 29.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -104.49 146.04 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.52 -139.55 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.7 tt0 -51.63 -58.29 11.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.79 176.5 6.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -108.69 129.01 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -84.23 113.91 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -100.07 97.93 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.1 100.33 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.8 mm? -83.48 150.37 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.8 t -143.94 122.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -53.77 117.09 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -121.69 -57.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.49 125.82 4.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 36.99 -111.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 t -86.41 145.27 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 23.1 m-85 -42.92 -73.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.965 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.74 -56.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CD1' ' HE1' ' A' ' 36' ' ' MET . 49.4 p90 -56.55 176.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 m -137.09 142.23 42.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 mt -112.99 132.24 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -145.13 144.32 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.3 p -100.29 136.13 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.77 148.72 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -82.05 41.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.48 30.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -134.42 -175.07 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -114.2 129.69 56.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.57 -134.32 46.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.15 163.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -155.49 148.21 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 23' ' ' PHE . 13.6 mmt -59.65 128.63 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 t -117.43 -41.54 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.51 116.08 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mm -108.04 89.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.7 m -37.86 127.52 0.97 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.504 0.668 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.67 36.07 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 55.72 38.18 29.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.99 -162.36 13.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 14' ' ' LEU . 85.4 t -67.9 -43.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.65 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 tpp -47.27 -22.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -35.63 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.19 -12.81 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.43 33.94 15.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 6.7 p -103.53 129.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.45 169.53 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -83.78 178.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' MET . 91.6 m-20 39.86 28.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 52' ' ' ALA . 7.2 m-20 -91.69 110.62 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -51.67 113.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.93 130.19 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mm -94.38 -52.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.7 pt-20 -153.58 177.51 10.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 58' ' ' GLU . 48.0 t -142.81 130.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 22.2 p30 43.77 31.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.75 41.13 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mm-40 -145.47 112.16 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.69 114.35 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.55 10.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -37.69 -56.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.37 41.69 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.11 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -67.25 151.55 47.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -49.77 -36.85 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.22 -29.61 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.45 -39.53 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.17 -54.95 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -47.18 -32.81 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.87 -32.43 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 27.5 mttp -71.83 -31.38 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.53 -45.7 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -65.99 -52.84 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -56.37 -43.67 79.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.5 t -34.26 -44.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.29 -109.38 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.6 m -110.97 -42.24 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -109.29 147.98 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 85' ' ' PHE . 15.6 m -135.37 169.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 30.1 ttm -127.76 107.5 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 83' ' ' VAL . 68.3 m-85 -102.53 125.0 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tp -116.48 115.21 25.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.22 174.23 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.3 t -119.62 145.79 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -63.33 127.09 29.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.41 -39.74 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -45.12 -46.26 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.9 m -79.29 -50.89 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.31 131.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -82.12 41.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -51.63 165.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.99 124.15 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.9 t -117.63 117.56 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -127.51 112.06 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.49 141.28 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -81.82 112.33 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -46.9 -43.85 19.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.33 69.3 1.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -103.9 140.2 38.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.7 t -127.17 -52.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -78.41 158.01 28.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -39.94 -45.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.42 -141.51 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -101.21 176.35 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 t -138.5 131.97 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 31.68 0.54 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.477 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 8.4 mt-30 -61.59 -60.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.559 0.695 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.0 Cg_endo -69.74 170.28 16.91 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -97.53 151.18 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.1 tm? -106.58 109.9 21.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.6 m -96.07 97.98 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.16 104.14 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.8 mm? -89.37 147.52 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.7 t -144.93 119.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 36.7 mttp -49.51 104.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -101.7 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.78 133.32 7.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.2 -103.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -119.21 157.57 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 98.0 m-85 -48.96 167.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.36 42.18 1.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 36.8 p90 -151.15 151.41 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -128.62 146.94 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.49 150.83 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 13.2 ptmt -153.0 151.62 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -113.68 132.0 55.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -111.4 135.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -40.77 -62.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.74 56.27 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -160.06 170.23 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' GLY . 21.6 mtpp -119.4 164.36 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LYS . . . 36.69 -139.25 0.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.24 165.77 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.58 140.71 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.5 mmt -51.89 118.96 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.449 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 8.8 t -109.12 -44.79 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -107.49 109.25 20.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.0 mm -109.55 90.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 84.1 m -44.22 138.67 3.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.691 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.74 135.95 31.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 45.02 48.31 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.23 -174.15 16.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 14' ' ' LEU . 95.7 t -49.5 -38.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -75.52 -69.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpp -43.01 -36.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -68.37 -40.3 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.31 65.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.23 37.36 3.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.5 p -108.02 122.36 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.96 168.5 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.39 159.77 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.2 m-20 57.27 28.05 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 87.6 m-20 -84.8 108.74 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.67 102.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -53.67 140.99 27.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -111.89 -48.65 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.3 pt-20 -152.9 173.31 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 56' ' ' LEU . 83.0 t -142.19 109.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 70.81 28.23 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.93 20.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -137.81 117.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -59.51 116.81 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.3 21.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.15 -57.71 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -13.37 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.58 160.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 58.5 m -95.56 145.24 25.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -39.13 -49.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -55.38 -41.82 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 66.6 mm-40 -64.21 -38.07 89.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.75 -65.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.8 p -39.69 -31.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.98 -44.05 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.6 -25.06 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -76.12 -49.1 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.48 -55.27 29.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -54.13 -44.05 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.3 t -34.14 -41.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.76 -105.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 m -119.83 -37.69 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -111.86 150.97 29.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 85' ' ' PHE . 3.2 m -140.1 163.36 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 29.9 ttm -120.7 107.74 13.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' HG21 ' A' ' 83' ' ' VAL . 46.8 m-85 -100.8 123.27 44.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 tp -115.32 112.53 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -134.8 171.66 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.82 147.44 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.81 130.39 43.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -55.34 -28.17 52.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 2.2 pt-20 -84.48 -19.72 32.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 m -86.93 -43.65 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -67.03 128.01 34.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -30.32 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -69.48 95.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.487 ' CD2' ' H ' ' A' ' 97' ' ' VAL . 8.3 t-160 -148.51 172.46 14.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.487 ' H ' ' CD2' ' A' ' 96' ' ' HIS . 25.7 m -111.35 172.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.51 139.72 53.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -84.0 136.53 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -102.49 162.48 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -145.43 167.83 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.3 154.36 16.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.409 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 146.15 59.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.8 t -87.15 -59.38 2.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.7 t -65.91 115.45 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -82.91 126.62 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -82.45 147.6 28.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.36 89.47 0.41 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 50.49 44.36 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -127.72 114.14 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.4 33.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.8 mt-30 -50.29 -60.04 6.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.2 Cg_endo -69.75 177.65 5.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.238 . . . . 0.0 112.392 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -109.07 147.99 31.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 2.1 tm? -101.73 118.32 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.7 m -106.61 109.15 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.53 104.53 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -85.46 139.7 31.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.13 124.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -62.47 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.19 -58.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.1 125.42 6.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.57 -115.97 8.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 1.5 t -105.93 -68.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.875 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 20' ' ' SER . 41.5 m-85 -166.08 -176.3 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.85 27.8 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 52.3 p90 -138.47 149.2 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 m -120.32 145.72 46.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.04 138.46 50.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -156.85 132.96 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 70.8 p -75.01 147.42 40.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -113.49 126.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.68 134.06 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.71 -29.33 3.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 24.6 mtpp -97.78 141.51 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.47 158.57 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 170.46 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.63 166.76 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 8.0 p90 -157.06 148.22 21.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ASP . 9.1 mmt -58.54 119.88 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -102.36 -44.58 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -115.52 115.8 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' THR . 50.1 mm -108.62 88.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ILE . 62.6 m -33.74 135.93 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.5 Cg_endo -69.8 151.09 68.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' PRO . 57.2 mt-30 33.85 40.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.05 -173.29 19.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 14' ' ' LEU . 91.1 t -56.37 -38.48 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . . . -69.64 -68.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.2 tpp -46.4 -29.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -77.25 -37.11 53.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.38 66.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.48 32.98 3.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 45' ' ' ALA . 3.4 p -106.18 127.41 61.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.03 158.78 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.69 164.24 26.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' MET . 3.7 m-20 52.43 29.33 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 23.6 t-160 -53.32 114.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.14 132.58 46.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.6 mm -98.19 -52.83 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HB2' ' C ' ' A' ' 62' ' ' GLU . 15.1 pt-20 -155.15 164.16 39.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.36 112.48 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 64.51 32.19 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 45.04 7.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 6.9 tt0 -146.04 110.03 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 65' ' ' GLU . 5.3 t-20 -55.77 105.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.1 2.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HG2' ' ND2' ' A' ' 63' ' ' ASN . 0.1 OUTLIER -57.52 -18.41 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.65 2.57 11.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.34 158.27 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 p -76.25 173.09 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 18.9 t-160 -70.89 -35.74 72.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.94 -25.95 61.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -27.55 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.82 -53.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.68 -48.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 12.4 pt-20 -63.96 -45.6 88.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 33.7 mttp -53.51 -44.99 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.96 -48.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -54.46 -40.81 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 15.9 mmtt -67.48 -31.9 72.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.469 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . 12.5 p -34.14 -54.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.65 -88.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -121.28 -52.07 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.373 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -113.82 158.49 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 85' ' ' PHE . 14.2 m -139.46 162.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.424 ' CG ' HD22 ' A' ' 11' ' ' LEU . 20.9 ttm -121.03 101.23 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HG21 ' A' ' 83' ' ' VAL . 62.0 m-85 -95.81 134.45 38.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.5 116.0 23.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.32 173.54 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.96 148.61 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.95 117.24 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 14.2 pttm -39.27 -45.33 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.8 tm-20 -39.63 -45.84 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 93' ' ' ASP . 87.0 m -76.04 -52.33 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 92' ' ' THR . 1.0 OUTLIER -35.28 118.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -58.39 118.52 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -144.04 127.45 16.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -68.87 128.64 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.0 t -100.87 86.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -119.63 83.98 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -104.12 87.84 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 47.98 38.05 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -71.43 125.51 27.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.37 -162.3 29.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -41.64 4.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 129.27 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -85.16 113.64 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -80.27 150.56 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -105.91 158.27 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.8 141.99 4.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -131.4 -179.39 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -95.51 -63.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.15 43.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.521 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.3 tt0 -48.39 -58.26 8.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.1 Cg_endo -69.83 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.631 2.22 . . . . 0.0 112.3 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -120.42 131.4 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.1 tm? -84.4 115.77 22.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.93 97.93 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -84.96 103.04 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.56 140.0 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.81 142.53 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.28 103.67 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -117.74 -38.04 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -115.09 176.56 16.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.86 -32.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.9 m -163.28 162.62 25.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 85.8 m-85 -52.14 174.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.35 36.58 4.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 42.1 p90 -146.11 163.24 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 m -128.03 160.62 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 71.3 mt -132.61 136.63 46.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.88 143.85 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -100.34 128.21 46.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.43 120.63 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -50.52 114.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.35 -50.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -68.85 -177.03 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -129.07 119.88 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.87 -174.56 31.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -117.65 164.2 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -156.97 150.13 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' ASP . 23.0 mmt -61.19 128.89 38.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 38' ' ' ASP . 10.0 t -117.81 -43.12 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 37' ' ' THR . 4.5 t0 -111.6 112.84 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.86 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.5 m -51.79 126.33 32.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.56 0.695 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.7 26.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.633 2.222 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 59.73 39.6 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 -155.89 11.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.52 -39.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.91 -58.97 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 tpp -48.69 -22.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -82.92 -41.98 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.22 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 38.2 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.35 127.86 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.0 162.31 13.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -72.67 -176.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.1 OUTLIER 38.89 31.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 6.0 m-20 -96.29 108.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.13 108.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.69 129.22 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -97.82 -49.99 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -161.85 176.71 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.34 121.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.52 26.03 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.67 43.6 7.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -141.28 107.16 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.18 101.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.8 m -110.1 16.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.51 -44.73 6.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.9 43.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.75 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.83 158.58 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 25' ' ' LEU . 20.9 t-160 -56.18 -27.43 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -72.1 -32.03 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -36.59 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 88.8 t -75.69 -60.3 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' VAL . 7.5 p -37.01 -34.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -78.13 -48.61 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -54.9 -31.15 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.35 -60.58 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -51.47 -51.52 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 55.0 mttt -55.91 -44.39 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.8 t -34.15 -44.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.41 -106.91 0.88 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -110.68 -41.36 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -108.98 154.98 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 79' ' ' SER . 0.5 OUTLIER -142.77 157.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.5 ttm -119.41 107.7 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 85.3 m-85 -104.2 125.07 50.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.79 119.86 38.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -141.46 174.25 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 158.71 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.87 127.84 34.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -50.49 -18.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -57.45 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -57.04 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -62.99 114.11 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 -65.94 91.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -115.1 131.48 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.6 172.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.14 111.0 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.87 123.6 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -94.66 147.23 23.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.8 p -120.52 81.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.41 146.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 149.01 66.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.8 t -71.39 136.11 47.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.7 t -97.03 -61.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.457 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -98.16 128.93 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 121.63 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.62 135.96 14.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -144.12 168.54 19.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -83.99 171.52 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -77.07 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -48.84 -60.01 5.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.955 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.2 Cg_endo -69.76 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -121.55 106.87 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -68.5 111.71 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.7 m -99.01 102.52 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.66 102.66 14.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -85.38 144.59 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -144.4 111.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 17.4 mtpt -44.35 106.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.25 -62.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.39 126.48 6.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.24 -100.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -111.11 159.75 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 88.1 m-85 -53.92 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -117.28 33.0 5.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 44.2 p90 -145.12 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -120.73 159.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.88 128.15 43.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -131.4 144.12 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -95.14 143.4 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 29' ' ' GLN . 13.1 t -109.69 153.18 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' N ' HG13 ' A' ' 28' ' ' VAL . 9.8 tp60 -81.72 82.99 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.09 -29.69 2.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -74.28 -175.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -119.03 155.19 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.68 -133.61 2.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.2 169.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.3 p90 -156.94 144.04 18.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.6 mmt -55.05 124.06 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -113.45 -38.88 4.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.52 116.68 29.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.39 88.83 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -40.08 133.51 1.48 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.7 23.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.54 41.85 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.97 -168.35 14.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 14' ' ' LEU . 40.0 t -53.6 -39.14 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -71.39 -72.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -42.86 -31.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -69.2 -42.95 75.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 14' ' ' LEU . . . -64.07 -17.53 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.28 34.62 7.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -103.15 148.62 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.09 163.43 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.04 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.4 t0 47.24 29.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 8.6 m-20 -85.44 109.19 18.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 5.9 t-160 -53.99 114.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -65.27 127.93 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.8 mm -95.8 -51.1 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -157.82 171.66 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -136.23 122.22 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 m120 54.82 26.31 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.1 42.14 6.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -145.93 108.02 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -49.94 113.56 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 56' ' ' LEU . 6.2 m -124.27 17.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -51.81 -34.5 40.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.13 -20.76 13.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.39 126.47 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -64.67 160.39 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -49.01 -36.8 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.2 pt-20 -66.58 -42.22 87.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.5 mm-40 -61.96 -42.04 98.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' LYS . 89.2 t -76.49 -65.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' VAL . 13.5 p -35.16 -35.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.3 mt-10 -77.85 -44.55 26.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 23.4 mttt -60.13 -26.16 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.42 -61.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 20.8 pttt -52.18 -37.78 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 44.4 mtmt -74.33 -36.82 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' LYS . 23.1 p -35.79 -44.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.03 -97.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.0 m -125.08 -42.43 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -109.13 153.51 23.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.18 156.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.8 ttm -117.72 113.09 21.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 51.3 m-85 -108.95 124.27 50.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -110.81 113.27 25.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -136.87 170.08 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 t -115.84 160.34 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.0 118.83 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -21.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.37 -45.23 48.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -73.1 -49.77 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.43 -55.92 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -54.26 -33.39 58.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -174.82 130.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.2 45.77 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.96 172.94 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -101.04 149.43 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -95.24 152.12 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -98.85 80.38 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.8 m -34.65 98.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.28 90.95 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.306 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t 72.45 40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 p -129.49 147.78 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -147.59 164.19 34.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.1 p -145.76 150.7 36.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.34 141.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -130.54 139.25 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -79.0 124.08 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.74 -102.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 13.2 tp60 -58.52 -59.82 12.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.74 173.59 10.73 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.64 123.34 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 84' ' ' MET . 2.5 tm? -82.18 112.98 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.13 99.22 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.49 110.95 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 48' ' ' ALA . 1.4 mm? -95.72 142.35 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.17 131.43 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -61.92 99.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -99.76 -60.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -130.95 132.88 7.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.97 -107.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -88.98 165.7 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -66.14 -72.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.28 -48.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 39.7 p90 -68.11 173.37 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m -138.03 154.57 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 64.9 mt -123.04 145.39 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -160.59 137.7 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.0 p -105.91 130.33 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.1 124.77 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -47.86 -41.75 24.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.56 33.09 3.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -155.23 -177.39 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -130.44 130.92 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.92 -172.71 53.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.01 161.0 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.72 147.72 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.557 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 24.0 mmt -60.01 130.76 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 t -120.28 -45.9 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -110.76 112.75 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.4 mm -109.72 84.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 85.7 m -38.44 137.69 0.79 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.83 157.25 60.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 53.5 mt-30 36.07 37.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.34 -175.88 21.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.11 -37.35 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.19 -69.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 tpp -42.75 -26.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -78.21 -37.28 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -68.34 -20.62 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.62 34.91 5.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.9 p -110.54 131.33 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 4.0 pp -102.57 167.52 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' A' ' 51' ' ' LEU . . . -73.1 162.74 29.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 57.85 49.65 11.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 23.0 m-20 -111.13 106.29 15.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -52.6 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 123.32 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -92.98 -49.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 11.6 pt-20 -162.17 172.89 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 85' ' ' PHE . 60.1 t -139.55 119.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 4.0 t-20 62.1 26.58 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.94 34.6 17.87 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.43 106.81 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -50.17 110.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 58' ' ' GLU . 30.6 m -124.27 20.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.26 -42.47 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 42.28 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 139.39 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -68.33 148.63 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.3 t-160 -42.94 -48.72 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 7.6 pt-20 -52.07 -41.67 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 19.0 mt-10 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' LYS . 94.1 t -82.91 -64.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 70' ' ' GLU . 2.8 p -36.18 -41.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.57 -44.48 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' VAL . 33.0 mttt -59.19 -20.37 53.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.7 t -87.55 -62.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -27.71 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.3 mttm -75.41 -49.35 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 26.9 t -33.51 -43.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.94 -90.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t -132.5 -37.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -111.72 146.8 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 32.1 m -140.31 174.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.45 ' CG ' HD22 ' A' ' 11' ' ' LEU . 27.2 ttm -130.56 105.69 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.5 m-85 -98.64 122.37 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -111.0 122.4 47.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -143.03 176.74 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.15 149.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.5 118.32 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 50.5 pttt -38.5 -47.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 17.8 mt-10 -50.75 -47.37 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 m -63.56 -57.46 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -56.34 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -58.95 89.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -75.05 -43.27 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' VAL . 44.2 m170 -47.39 101.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' HIS . 93.0 t -36.19 125.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -124.58 123.7 40.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -162.9 144.33 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 100' ' ' LYS . 8.2 tmtm? -138.15 126.64 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.57 147.71 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.29 152.77 24.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 117.51 5.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -115.16 129.11 56.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -148.95 162.36 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -71.47 121.06 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -111.4 110.15 20.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.67 56.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 p -119.45 121.13 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -47.97 119.19 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.05 -136.81 6.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 5.3 mm100 -63.81 -60.07 9.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.73 -176.74 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -104.79 122.94 46.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -81.71 111.93 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.53 109.04 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -94.77 107.02 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -91.65 143.93 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.968 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.21 120.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -53.69 122.98 10.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -122.03 -64.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.8 133.03 6.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 42.28 -113.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 p -83.98 171.37 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -68.26 -71.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.6 34.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -155.84 164.44 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -129.78 163.12 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 16.5 mt -133.83 139.32 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 16.0 ptmt -137.38 155.04 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 69.8 p -112.07 129.28 56.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 29' ' ' GLN . 60.3 t -106.8 136.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' N ' HG11 ' A' ' 28' ' ' VAL . 1.7 tp-100 -68.62 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.61 -32.77 17.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -106.73 -177.74 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -134.98 157.32 47.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.52 149.24 3.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 m -92.18 159.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -155.32 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.48 136.0 37.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.483 ' HB ' ' CD ' ' A' ' 26' ' ' LYS . 9.1 t -123.62 -47.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -117.06 104.2 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.1 mm -93.6 107.5 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.2 m -60.16 129.38 88.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' GLN . 54.3 Cg_endo -69.74 161.2 46.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.653 2.236 . . . . 0.0 112.377 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' PRO . 27.6 pt20 34.15 46.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 47' ' ' ARG . . . -124.35 -163.14 11.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG12 ' CD1' ' A' ' 14' ' ' LEU . 73.5 t -69.7 -46.98 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.97 -64.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 tpp -45.2 -32.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 14.4 mmp_? -79.26 -36.41 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.98 29.74 11.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.45 129.12 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.9 pp -106.44 169.62 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 51' ' ' LEU . . . -79.66 170.79 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.38 38.47 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 36.2 m-20 -116.23 113.14 22.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -60.27 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . 13.6 mt -75.77 132.23 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -105.31 -41.64 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -173.3 144.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 85' ' ' PHE . 87.4 t -116.37 132.6 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p30 38.05 34.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.11 33.94 13.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' VAL . 5.1 mm-40 -132.63 99.76 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -51.93 113.33 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 16.5 m -123.38 30.46 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.32 -46.81 85.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.39 31.47 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.1 165.47 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 8.5 m -96.36 144.5 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.2 t-160 -38.18 -43.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.9 pt-20 -60.64 -42.59 97.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' SER . 56.6 mt-10 -61.63 -40.94 96.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.94 -64.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.3 p -38.43 -35.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -58.09 -34.35 70.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.05 -51.5 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -56.79 -43.95 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.0 mttm -64.34 -39.87 94.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 78' ' ' LYS . 27.5 t -34.41 -46.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.08 -102.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -113.58 -45.54 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -109.5 149.94 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 85' ' ' PHE . 13.8 m -135.96 170.65 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 23.4 ttm -131.92 109.21 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 83' ' ' VAL . 83.2 m-85 -103.22 127.31 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.7 tp -118.74 111.58 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.28 172.38 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.21 145.32 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.54 129.33 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -44.03 -42.23 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -40.25 -43.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.4 m -84.86 -46.65 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -42.99 113.3 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -41.74 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -87.48 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 96' ' ' HIS . 2.5 t-160 -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.54 169.96 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -171.77 164.68 6.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -149.55 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -108.12 162.45 14.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -102.67 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.82 83.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.03 2.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 t -58.25 99.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.2 m -104.95 129.38 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -56.9 120.35 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -122.03 143.56 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 79.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -72.32 -61.01 1.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -48.87 140.54 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.05 -92.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -51.89 -59.94 7.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.78 179.48 3.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -111.14 154.77 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -107.27 122.76 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.4 m -110.34 97.98 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -85.63 108.87 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -97.62 140.88 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.5 t -136.66 127.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -51.43 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -105.08 -52.98 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -116.1 176.5 16.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.59 -41.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 t -136.6 137.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -38.57 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.73 37.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -160.35 165.25 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -137.27 143.34 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -116.64 145.72 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -97.93 150.35 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.95 136.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.94 145.66 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.65 -49.8 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -77.47 141.16 39.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -107.66 120.94 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.71 157.55 10.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.32 159.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -156.97 170.68 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.7 mmt -79.73 140.49 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -126.69 -32.52 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -128.12 118.04 22.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.08 117.42 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.6 m -68.19 128.39 93.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 128.61 16.27 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 70.3 35.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.14 -173.47 18.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.22 -52.89 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -60.28 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpp -42.46 -29.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -90.53 -30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.45 23.22 11.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -104.38 136.61 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.59 157.78 31.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 162.08 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 61.51 50.04 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -124.4 108.0 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -61.41 126.68 28.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mt -68.2 136.04 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mm -108.08 -44.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -170.12 142.42 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.14 128.75 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.86 33.06 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.25 31.04 35.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ASN . 21.2 mt-10 -131.46 91.73 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' GLU . 20.0 t-20 -35.45 122.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.16 16.39 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -60.3 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.15 28.77 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.5 138.85 31.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -71.48 167.43 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 3.8 t-160 -62.69 -47.07 85.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 5.3 mm-40 -60.51 -16.27 35.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.73 -37.53 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' VAL . 98.4 t -79.02 -57.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -34.96 -48.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 7.4 pt-20 -68.5 -46.61 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 31.8 mttp -55.05 -27.3 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -78.51 -61.92 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -54.76 -28.76 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 22.9 mttm -81.35 -49.38 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.7 m -35.11 -38.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.17 -137.37 9.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.24 -37.81 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -110.22 148.9 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.6 m -139.1 168.32 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.412 ' CG ' HD22 ' A' ' 11' ' ' LEU . 27.9 ttm -129.25 101.81 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.6 m-85 -95.05 132.06 40.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 tp -120.96 107.79 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.3 167.94 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 146.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -64.51 151.66 43.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 32.4 pttt -65.96 -53.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 12.2 mt-10 -48.24 -23.57 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -85.54 -61.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.14 124.95 21.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 96.56 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -46.89 137.18 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -75.73 124.11 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.3 t -48.26 135.19 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -115.16 -60.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -53.26 177.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -97.9 143.59 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -120.91 168.33 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.36 174.2 15.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.17 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -107.83 110.37 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.4 t -139.41 122.44 16.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.6 m -108.64 134.15 51.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 70.8 m -35.08 116.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.18 143.84 9.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -114.01 -50.28 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -41.55 138.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -179.98 -88.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.477 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.2 mt-30 -34.95 -60.1 0.57 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.78 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -111.18 119.81 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -79.72 115.81 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.1 m -101.55 97.99 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.21 98.63 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 44' ' ' VAL . 1.5 mm? -84.59 144.96 28.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 t -138.38 118.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -47.62 105.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -106.89 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.32 119.04 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.43 -107.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -101.41 149.82 23.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -47.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.55 41.47 2.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 11.3 p90 -148.32 150.26 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.8 m -114.99 162.75 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 63.1 mt -129.89 142.3 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' CD ' HG22 ' A' ' 37' ' ' THR . 17.4 ptmt -160.13 135.55 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -103.72 129.64 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.44 137.47 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -50.68 -39.44 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.79 29.9 7.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -151.02 139.13 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -95.32 119.38 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.62 -161.94 16.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.02 162.38 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.9 p90 -156.48 148.35 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASP . 22.5 mmt -60.54 127.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.444 HG22 ' CD ' ' A' ' 26' ' ' LYS . 8.9 t -117.47 -49.29 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 37' ' ' THR . 12.4 t70 -105.45 110.8 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.17 93.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.7 m -40.49 126.95 1.81 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 60.87 38.41 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.68 -175.13 16.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.554 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 14' ' ' LEU . 87.8 t -51.73 -47.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.88 -69.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.5 tpp -43.77 -34.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -72.28 -39.42 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.7 68.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.68 2.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -112.82 129.91 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -101.38 171.08 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.46 167.2 22.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' MET . 2.8 m-20 54.87 43.7 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 28.2 m-20 -104.22 104.56 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -51.62 103.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -54.79 131.0 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.45 -49.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -156.24 173.88 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.8 t -141.29 112.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 68.51 30.33 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.4 ' N ' ' OE1' ' A' ' 58' ' ' GLU . . . 80.04 46.56 7.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -150.6 116.66 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -51.69 113.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 56' ' ' LEU . 3.8 m -126.91 25.91 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.56 -44.31 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.8 -4.64 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.89 148.63 47.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 m -83.56 162.4 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.413 ' NE2' ' HB2' ' A' ' 25' ' ' LEU . 16.7 t-160 -52.04 -43.63 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.57 -38.58 75.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.03 -40.38 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' LYS . 84.0 t -72.44 -62.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -41.44 -44.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.5 -33.15 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.5 mttp -73.7 -21.85 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.35 -67.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -47.45 -38.96 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.73 -34.38 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -40.31 -37.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.03 -95.85 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -124.08 -44.62 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -109.2 156.76 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.561 HG22 ' CE2' ' A' ' 85' ' ' PHE . 2.7 m -143.7 171.19 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.432 ' CG ' HD22 ' A' ' 11' ' ' LEU . 20.6 ttm -131.53 109.17 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 83' ' ' VAL . 71.3 m-85 -105.48 125.01 50.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.4 116.32 28.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -140.1 175.15 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.3 t -122.55 157.92 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.55 163.46 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -83.92 -36.8 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.8 -38.22 84.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 26.3 m -71.61 -61.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' THR . 4.4 t0 -35.92 -61.23 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -98.91 109.5 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -70.38 120.4 15.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -67.3 87.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.27 137.85 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -142.43 143.07 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -115.75 101.12 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -55.93 120.23 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.5 t -143.12 148.76 37.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.18 132.16 11.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' SER . 54.0 Cg_endo -69.7 1.79 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' PRO . 3.4 t -35.86 121.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.7 p -138.18 112.71 8.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -85.93 48.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -59.64 169.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.62 -145.04 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 m -93.03 40.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -133.29 148.84 51.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.98 -53.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.8 mt-30 -60.0 -60.18 11.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.73 177.33 5.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -107.19 146.61 31.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -95.87 113.33 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.9 m -103.17 97.97 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -89.08 111.59 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -95.13 137.57 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.62 118.72 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -45.29 105.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.56 -59.55 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 120.45 3.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.47 -98.6 0.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 6.7 m -119.81 -62.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 20' ' ' SER . 20.9 m-85 -167.69 -177.94 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.27 35.61 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 51.1 p90 -148.53 156.17 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -125.83 150.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 20.5 mt -117.02 147.39 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -154.14 142.13 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.2 p -97.74 138.43 35.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.39 125.75 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.11 141.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.91 -45.92 3.6 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -71.6 145.31 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -89.81 154.5 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.07 -144.37 3.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.67 174.58 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 p90 -157.03 146.09 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 17.6 mmt -60.56 126.7 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 HG21 ' CD ' ' A' ' 26' ' ' LYS . 9.6 t -116.88 -42.49 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -109.62 112.41 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CG2' ' HB2' ' A' ' 46' ' ' MET . 39.1 mm -103.48 90.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' ILE . 84.2 m -34.33 131.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.15 14.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.338 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 49.53 36.09 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.37 -140.29 11.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.4 t -85.8 -52.83 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.38 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.452 ' HB2' ' CG2' ' A' ' 39' ' ' ILE . 12.7 ttm -40.95 -37.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.9 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.22 -19.43 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.44 29.94 7.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -100.04 131.26 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.5 mt -93.99 162.27 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.6 170.53 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER 47.57 26.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -85.6 103.33 14.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 4.1 t-160 -49.68 113.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.04 142.69 58.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.67 -51.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -161.69 168.56 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.89 127.28 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 79' ' ' SER . 70.3 m-80 51.74 39.2 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 45.44 51.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 38.2 mt-10 -142.84 109.86 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -50.34 115.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 3.2 m -126.98 11.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.75 -53.42 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -89.77 -16.67 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.05 137.43 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -71.21 165.59 23.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 3.7 t-160 -59.24 -44.39 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -59.2 -29.31 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' OE1' ' CA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -75.47 -37.1 60.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 84.0 t -76.78 -60.11 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 72' ' ' VAL . 5.8 p -33.82 -54.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.16 -43.68 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.8 mttp -56.43 -33.28 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.38 -62.21 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.55 -34.53 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 40.6 mttt -68.34 -46.04 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.452 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 34.5 t -34.23 -41.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.61 -119.8 3.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -91.28 -53.48 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.53 159.56 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 85' ' ' PHE . 23.2 m -138.01 168.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.416 ' CG ' HD22 ' A' ' 11' ' ' LEU . 26.3 ttm -123.86 101.26 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' HG21 ' A' ' 83' ' ' VAL . 53.4 m-85 -97.04 122.43 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.27 118.12 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -140.83 172.3 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.79 155.77 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 159.77 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' NZ ' ' O ' ' A' ' 90' ' ' LYS . 3.1 tptp -79.34 -32.62 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.27 -48.08 58.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -59.1 -59.62 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.74 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -131.17 84.91 2.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -103.09 131.9 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -72.49 85.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 98' ' ' GLU . 45.4 t -103.08 156.27 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.467 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.8 pp20? -155.12 110.26 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' GLU . 24.3 pt20 -34.85 -40.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -174.82 154.94 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.8 m -69.98 112.42 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.45 146.2 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 118.62 5.79 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.692 2.262 . . . . 0.0 112.35 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.7 p -83.78 66.53 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.6 m 37.9 47.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -103.3 123.2 46.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -118.32 123.93 46.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.76 176.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -73.91 98.38 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -158.7 159.39 35.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.81 -73.69 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 21.7 mt-30 -55.09 -60.07 9.15 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.75 177.72 5.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.282 . . . . 0.0 112.332 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.59 140.44 39.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 11' ' ' LEU . 2.8 tm? -96.08 116.3 28.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -102.25 98.23 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.82 104.15 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 48' ' ' ALA . 3.4 mm? -93.68 144.06 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' ' 14' ' ' LEU . 89.0 t -142.32 118.66 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -48.94 118.65 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.16 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.26 137.62 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.73 -110.43 0.46 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 m -117.87 162.82 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -55.84 162.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 45' ' ' ALA . . . -92.22 31.24 6.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 17.7 p90 -145.51 150.35 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 m -130.1 143.67 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 31.4 mt -106.36 157.67 17.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -162.81 151.25 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -103.23 126.25 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.02 149.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.41 100.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.76 -48.75 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 165.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -126.83 133.53 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.86 152.11 24.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 25' ' ' LEU . 69.1 t -98.26 145.84 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -153.59 144.53 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 14.8 mmt -59.1 132.49 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 38' ' ' ASP . 15.1 t -116.52 -41.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' N ' HG21 ' A' ' 37' ' ' THR . 20.9 t70 -112.09 114.39 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mm -110.35 87.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -41.27 129.59 2.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.12 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 56.1 39.18 30.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.83 179.29 16.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -48.8 -30.13 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 22' ' ' GLY . . . -76.99 -68.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpp -46.87 -24.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -36.1 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -73.16 -18.93 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.5 40.91 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.57 125.75 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.1 mt -91.85 159.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 164.01 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.4 m-20 55.86 25.39 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.11 114.61 25.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -55.81 112.95 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -67.04 105.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.45 -54.18 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -155.2 172.7 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 56' ' ' LEU . 96.4 t -138.15 106.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER 69.44 36.9 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 36.93 45.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -133.68 103.82 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -50.37 107.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 35.0 m -121.78 13.62 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' VAL . 23.3 mt-10 -38.47 -47.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -112.05 43.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.73 163.09 12.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.2 t -94.75 155.7 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.414 ' NE2' ' HB2' ' A' ' 25' ' ' LEU . 4.6 t-160 -50.4 -35.14 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.18 -29.0 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.68 -33.02 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.2 t -83.47 -55.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.1 p -41.52 -36.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.6 -44.52 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 23.7 mttp -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.4 t -86.05 -48.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -66.78 -48.45 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.9 mtmt -59.49 -43.3 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.0 t -35.15 -42.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.26 -114.25 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -100.68 -49.6 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -109.09 160.58 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 2.6 m -140.95 165.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.2 ttm -119.67 107.65 13.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 63.1 m-85 -101.63 127.88 48.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 tp -119.26 114.0 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 172.39 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.12 148.74 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.13 119.21 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -24.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -69.03 -37.69 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.4 m -78.83 -56.0 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' C ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -69.04 134.75 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -67.71 124.8 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -85.01 140.38 31.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -86.72 89.17 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.7 m -54.83 129.86 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -129.08 -38.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -89.05 142.88 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -92.53 177.33 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -117.46 113.91 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.2 124.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.25 66.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 t -120.58 -57.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -59.22 107.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 m -64.76 114.64 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -160.39 146.69 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 76.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -105.13 106.9 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -106.63 148.45 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.11 -51.3 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.69 154.21 78.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.21 22.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -101.24 129.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.76 103.28 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.36 99.58 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -82.54 99.37 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD11 ' CG1' ' A' ' 44' ' ' VAL . 3.5 mm? -87.41 141.87 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 t -140.46 135.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -60.24 119.8 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -126.85 -44.9 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -124.83 176.23 17.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -36.7 -48.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -128.33 138.14 52.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -44.05 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.63 35.46 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 10.2 p90 -158.03 153.03 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 m -124.35 159.25 30.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.12 126.9 42.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 37' ' ' THR . 30.2 pttt -127.02 153.8 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -100.24 147.34 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 29' ' ' GLN . 97.5 t -127.1 135.59 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' HG13 ' A' ' 28' ' ' VAL . 11.2 pt20 -55.19 142.24 32.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.21 -47.4 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -58.47 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -122.79 156.26 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.72 -134.25 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.54 -179.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -157.0 160.04 38.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.9 mmt -64.23 128.04 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 26' ' ' LYS . 1.3 t -142.47 161.97 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 49.59 44.22 24.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 52' ' ' ALA . 24.4 mm -51.56 118.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -66.78 121.21 76.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.38 13.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 71.22 50.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.84 -173.63 12.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' CG1' HD11 ' A' ' 14' ' ' LEU . 61.3 t -54.86 -36.09 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.08 -70.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 tpp -44.79 -26.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -83.52 -38.51 21.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.7 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 31.06 5.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 p -101.35 125.74 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.9 mt -94.02 144.93 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 39' ' ' ILE . . . -64.53 164.13 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.33 33.36 22.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 1.2 m-20 -98.31 109.61 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -54.44 110.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -58.26 132.85 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.97 -50.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -159.83 176.3 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -143.0 124.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 79' ' ' SER . 59.7 m-20 52.3 32.52 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.96 35.13 22.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -131.41 109.36 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -58.75 109.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 67' ' ' ALA . 3.7 m -125.91 17.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -39.59 -42.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -121.69 48.3 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . . . -101.56 144.25 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.1 m -62.1 149.61 40.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -56.56 -24.58 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 42.4 mm-40 -84.63 -22.44 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.26 -38.49 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.8 -57.33 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 70' ' ' GLU . 5.3 p -38.16 -48.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.0 pt-20 -69.55 -44.53 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 25.5 mttm -55.73 -38.06 69.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.05 -45.95 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -63.96 -53.19 54.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.3 mttm -48.64 -40.74 28.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.461 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 48.1 t -33.87 -48.0 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 -107.72 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 m -99.25 -50.8 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.532 ' H ' ' NE ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -114.13 164.81 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.555 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 5.6 m -140.86 167.75 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.3 ttm -126.43 113.05 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 38.7 m-85 -107.08 132.4 53.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 111.31 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -134.85 176.49 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -110.0 152.51 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.5 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -23.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.1 -46.27 82.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 91.5 m -92.24 -45.32 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' THR . 42.8 t0 -34.8 -60.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -90.3 93.98 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -101.68 87.8 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.8 p80 -90.96 109.7 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.5 m -89.8 174.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 63.72 46.05 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 157.21 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -65.38 105.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -85.5 135.63 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -164.62 73.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -39.23 6.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -139.3 109.31 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -110.91 135.14 51.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -106.27 137.22 44.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -91.77 152.27 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.38 146.26 18.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -79.93 139.56 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -164.77 151.75 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.13 83.61 0.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -64.7 154.13 85.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.336 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -114.7 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.6 tm? -84.19 113.81 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.59 100.31 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -87.08 103.57 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -89.81 136.1 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.3 t -129.24 132.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -59.17 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -103.06 -37.41 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -131.82 175.09 19.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.51 -48.94 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -125.33 137.09 54.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -42.32 -64.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.33 30.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -151.01 151.11 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -122.83 144.44 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.88 142.37 46.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 10.6 ptmt -146.19 152.08 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -104.36 145.63 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.92 132.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -64.84 106.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.38 -47.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -76.38 179.14 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -112.47 156.11 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.27 -144.15 3.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.73 171.44 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.02 147.93 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.8 mmt -61.73 134.36 56.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.454 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 9.0 t -122.21 -40.63 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 37' ' ' THR . 8.4 t0 -116.21 116.24 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.43 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.0 m -45.17 126.39 5.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.22 32.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 58.36 51.03 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.33 -160.94 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' HD12 ' A' ' 14' ' ' LEU . 87.2 t -67.05 -42.26 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.11 -63.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.2 tpp -49.44 -22.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -88.13 -33.48 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.86 -22.37 63.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.62 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.463 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.5 p -106.09 138.53 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -113.58 170.92 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.33 165.61 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.3 m-20 51.89 50.61 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 16.6 m-20 -114.54 106.73 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.59 100.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.66 130.76 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -96.69 -51.22 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.21 169.32 25.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 85' ' ' PHE . 49.2 t -137.77 110.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 3.5 t-20 71.44 29.78 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.55 41.92 9.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.49 115.65 8.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.8 109.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.53 19.72 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -49.82 -40.0 40.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -122.21 41.67 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.07 136.59 43.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -61.61 143.81 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.45 -40.79 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.0 -34.52 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.53 -43.28 81.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' LYS . 99.2 t -74.12 -61.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 p -38.9 -38.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -73.94 -43.2 59.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.1 mttp -61.65 -21.94 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.21 -57.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -62.08 -30.76 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 79' ' ' SER . 24.3 mttm -73.17 -43.47 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 78' ' ' LYS . 3.7 t -34.01 -43.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 -101.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.4 m -117.03 -44.43 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -109.0 155.64 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 85' ' ' PHE . 8.5 m -140.91 170.09 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.3 ttm -130.8 105.49 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.4 m-85 -99.49 128.49 45.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -120.81 114.77 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.86 175.67 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.09 146.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.2 125.78 25.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -42.33 -44.7 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.77 -48.28 79.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.1 m -57.01 -48.78 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -50.56 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -88.14 79.38 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -101.03 97.44 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -157.84 140.66 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.11 107.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -149.3 135.38 19.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -171.56 139.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -69.11 156.47 38.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.8 p -117.61 141.09 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.13 127.63 3.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.36 24.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' SER . 94.1 p -110.61 -43.64 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.1 t 34.36 43.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -75.86 116.59 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -83.37 88.9 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.47 -84.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -71.6 178.78 3.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t -106.44 116.07 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.83 -44.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.06 155.86 72.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.79 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -112.36 129.74 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 11' ' ' LEU . 1.1 tm? -81.78 105.45 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.54 100.02 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.9 98.66 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' CG1' ' A' ' 44' ' ' VAL . 1.2 mm? -84.52 136.49 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' C ' ' A' ' 14' ' ' LEU . 47.0 t -140.97 104.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.8 ptpt -42.63 142.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.46 -73.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.81 117.98 4.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.01 -68.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 p -149.71 -176.52 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 3.7 m-85 -66.88 -174.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.48 44.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.501 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.4 p90 -157.44 160.26 38.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -130.94 147.26 52.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -112.41 159.76 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 154.78 25.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 72.0 p -111.62 129.93 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.22 138.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.53 124.8 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.49 -49.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.38 150.17 47.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -102.55 151.36 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.47 -164.25 52.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.69 168.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 4.0 p90 -156.54 150.83 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.58 132.58 52.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 38' ' ' ASP . 9.8 t -120.13 -50.67 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' N ' HG21 ' A' ' 37' ' ' THR . 10.5 t70 -105.14 109.7 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 48.6 mm -102.99 84.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 29.8 m -34.17 137.26 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.567 0.698 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.78 138.09 36.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 46.27 44.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.21 -175.0 16.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' HD12 ' A' ' 14' ' ' LEU . 84.1 t -49.2 -43.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . . . -71.3 -65.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 tpp -45.68 -26.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -80.6 -36.71 32.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.16 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.4 7.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 45' ' ' ALA . 5.8 p -96.39 124.95 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.78 162.4 18.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.62 162.08 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.7 25.23 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.12 112.9 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -57.97 109.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.45 121.03 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -83.38 -55.76 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -154.39 171.46 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' CE1' ' A' ' 85' ' ' PHE . 48.9 t -138.01 123.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.41 28.37 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.3 31.96 29.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -129.83 102.22 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -47.33 105.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 17.0 m -117.64 10.78 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' VAL . 21.0 mt-10 -34.38 -44.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -126.19 47.17 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.71 133.47 46.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -50.45 151.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 7.9 t-160 -58.42 -34.36 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.2 -22.12 55.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -79.81 -31.99 40.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' LYS . 86.4 t -85.86 -61.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' VAL . 5.4 p -35.37 -46.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 14.7 pt-20 -67.97 -42.67 80.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 46.5 mttt -54.99 -44.73 74.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.63 -55.22 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -48.02 -50.95 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.4 mmtt -51.02 -53.05 36.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.1 t -33.02 -47.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.8 -106.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -115.54 -15.59 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -133.1 155.12 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -145.99 163.28 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 23.9 ttm -110.85 106.96 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' CE1' HG13 ' A' ' 59' ' ' VAL . 66.2 m-85 -102.44 141.8 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -130.92 113.75 14.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -117.32 150.21 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 92' ' ' THR . 10.0 m-20 -63.2 116.9 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 8.4 ptmt -40.22 -34.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 32.2 mp0 -58.74 -43.91 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' ASP . 90.0 m -77.87 -47.36 18.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.59 -61.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -133.88 162.37 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -76.08 157.88 32.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -113.03 108.65 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.88 123.54 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -117.18 96.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -119.98 127.11 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -101.86 112.09 24.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 m -80.97 -59.89 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.91 86.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.76 -7.92 22.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' PRO . 80.7 p -36.43 108.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.5 m -61.52 102.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.1 t -90.77 89.89 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 61.1 m -34.77 123.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.16 -95.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -115.18 155.81 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -88.48 21.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.69 -99.1 0.77 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 18.4 mm-40 -74.14 -61.42 1.25 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.79 -170.6 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -124.3 120.5 32.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -75.09 113.36 12.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.7 m -99.89 97.91 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.55 101.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 45' ' ' ALA . 3.4 mm? -85.56 130.18 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.62 103.56 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.5 ptmm? -49.34 117.84 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 15.3 pt-20 -92.35 -51.61 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.34 132.12 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.95 -88.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t -112.9 175.69 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.617 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 8.3 m-85 -68.89 -175.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.71 43.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 9.7 p90 -163.96 166.5 21.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 m -135.63 143.45 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 mt -99.63 161.78 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' CD ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -162.93 158.48 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -112.87 148.43 34.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 t -138.19 145.17 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -79.26 78.28 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 155.71 -35.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.74 163.96 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.4 mtmt -89.15 116.23 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.46 -134.61 52.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.65 173.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.92 176.63 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.439 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 17.5 mmt -76.23 141.13 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.472 HG23 ' CD ' ' A' ' 26' ' ' LYS . 14.7 t -157.0 154.05 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 57.32 34.03 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.2 mm -42.02 123.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.6 m -77.7 130.56 73.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.29 29.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 59.16 42.99 17.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.04 -171.68 13.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -54.16 -71.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' CB ' ' CG1' ' A' ' 50' ' ' VAL . . . -43.32 -63.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 tpt -49.07 -22.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -92.05 -32.7 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -24.22 64.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.12 21.36 7.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 87' ' ' LEU . 10.9 p -96.46 142.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.191 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.38 160.73 22.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.39 165.47 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 54.85 41.75 31.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 16.7 m-20 -103.65 100.12 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 32' ' ' LYS . 11.2 t-160 -59.72 124.51 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . 10.7 mt -69.25 124.66 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.4 mm -98.22 -34.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CD ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -175.8 167.34 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.7 t -136.29 135.66 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.0 m-20 36.94 30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . 90.12 36.72 7.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 59' ' ' VAL . 12.4 mp0 -141.43 107.16 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.92 121.16 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 18.6 m -122.72 15.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.85 -59.12 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 25.5 t0 -108.89 40.04 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.5 142.18 31.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -66.03 153.18 42.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -52.63 -40.42 62.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 36.0 mt-10 -68.57 -35.6 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -65.06 -40.55 94.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . 61.0 t -76.91 -62.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 70' ' ' GLU . 9.4 p -35.81 -47.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.44 -45.72 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' VAL . 28.2 mttp -55.14 -42.85 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.84 -53.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -47.32 -46.64 25.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' SER . 36.1 mtmt -69.66 -45.88 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' LYS . 5.0 t -34.76 -41.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.67 -127.71 5.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -100.41 -22.45 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -122.48 148.81 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 3.1 m -146.74 171.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 31.5 ttm -122.91 109.1 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 42.2 m-85 -105.57 128.92 53.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 tp -112.1 103.71 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 50' ' ' VAL . 2.0 mt -116.31 167.56 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.51 150.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.88 145.92 54.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -67.09 -39.43 86.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -50.17 -34.94 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -86.53 -62.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -46.72 134.0 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -132.16 132.54 43.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -81.06 174.81 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -96.13 120.62 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.6 t -128.22 145.98 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -115.36 124.53 51.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -112.83 114.37 26.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 101' ' ' SER . 3.3 tmtm? -141.91 132.35 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' HD3' ' A' ' 100' ' ' LYS . 4.5 m -46.12 127.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.58 147.56 5.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 109.38 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m -159.62 137.5 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 m -94.69 170.69 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m -160.65 139.05 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.926 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -171.17 144.82 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.1 111.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -148.46 151.79 35.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -115.6 114.86 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.62 -55.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 mp0 -54.75 -60.18 8.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.5 Cg_endo -69.65 175.39 8.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.27 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -108.7 129.06 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.4 tm? -89.19 116.16 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.1 m -103.03 98.2 8.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.07 105.83 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD23 ' CB ' ' A' ' 48' ' ' ALA . 1.2 mm? -89.06 150.22 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.67 129.9 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -52.89 117.73 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.8 tt0 -120.64 -60.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -122.34 176.45 16.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.28 -46.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -122.45 129.24 51.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -39.96 -69.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.39 33.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -155.56 149.82 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -101.49 144.91 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 mt -121.96 127.65 50.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -151.84 139.95 20.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.6 p -98.43 163.91 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CG ' ' A' ' 31' ' ' LYS . 3.9 t -128.42 149.09 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' C ' ' CD ' ' A' ' 29' ' ' GLN . 7.5 tm0? -69.3 -28.77 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' HG2' ' A' ' 31' ' ' LYS . . . -113.52 48.93 0.89 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' CG ' ' HB ' ' A' ' 28' ' ' VAL . 54.0 mmtt -152.04 174.93 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -118.58 121.72 40.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.95 175.58 15.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.09 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.9 p90 -156.74 160.18 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -70.83 137.04 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 t -117.14 -45.48 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -122.63 115.74 22.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -98.81 119.45 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 m -67.72 132.82 92.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.13 27.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.05 42.75 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.3 176.6 16.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 96.2 t -47.18 -52.58 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.6 -61.76 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.9 tpp -53.55 -25.28 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -85.92 -33.09 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -69.97 -28.29 65.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 39.93 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.67 124.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.17 165.98 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 177.75 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 43.64 38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -110.23 118.12 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -66.28 131.29 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 87' ' ' LEU . 5.0 mp -76.12 117.2 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 mm -83.61 -31.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' CD ' ' C ' ' A' ' 58' ' ' GLU . 1.6 pp20? -175.44 158.53 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.85 130.66 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 23.6 p30 40.22 38.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.06 45.51 8.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -146.36 114.8 6.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.68 115.43 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.03 4.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -41.11 -41.53 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -115.52 44.66 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 144.05 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -80.01 151.21 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -39.13 -56.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.5 pt-20 -43.53 -42.56 5.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 56.9 mm-40 -67.81 -33.4 74.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' VAL . 76.0 t -78.88 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' VAL . 2.9 p -33.95 -48.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.9 pt-20 -68.37 -46.91 68.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 30.3 mttp -59.33 -14.16 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -93.28 -59.7 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.8 pttt -60.0 -34.75 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 79' ' ' SER . 41.0 mtmt -70.03 -45.6 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.9 t -35.12 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 -123.22 3.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.2 m -104.16 -27.63 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -118.29 147.0 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.5 m -134.77 163.19 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 11.3 ttm -131.93 108.77 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -101.68 131.06 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . 13.9 tp -116.65 110.22 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -126.81 173.43 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.77 150.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.88 146.98 51.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -69.18 -30.53 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.99 -39.04 93.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' ASP . 98.6 m -71.86 -52.36 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' THR . 36.2 t70 -34.58 128.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -96.69 75.55 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -75.13 91.08 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -94.68 81.35 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.92 153.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -161.89 120.63 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -59.78 150.33 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 132.53 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.5 t -53.7 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.79 92.96 0.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.67 7.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -155.99 110.19 2.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 p -83.26 134.53 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -123.42 148.71 45.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -52.92 106.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.16 159.3 31.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p -83.07 149.63 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -80.2 147.17 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.34 40.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -68.59 154.04 95.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -179.56 3.01 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.662 2.242 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -113.64 133.26 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD22 ' CG ' ' A' ' 84' ' ' MET . 3.0 tm? -92.09 116.24 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.7 m -103.28 97.97 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -82.33 102.55 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 14' ' ' LEU . 2.2 mm? -87.11 145.36 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.45 127.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -56.59 100.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -94.7 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.57 117.73 2.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.68 -102.26 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -103.88 145.21 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -46.64 173.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.47 39.32 2.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -144.91 150.55 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.4 m -113.98 138.61 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 70.1 mt -112.14 138.67 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -157.32 140.27 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 p -103.04 155.09 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.1 t -116.92 137.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -56.36 -40.5 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.78 30.2 5.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -151.5 172.81 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -127.6 120.12 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.27 174.07 27.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 25' ' ' LEU . 4.6 p -109.36 159.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -155.3 164.35 38.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.84 135.76 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -121.06 -37.99 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -126.39 115.48 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mm -107.26 90.12 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.8 m -41.39 130.91 2.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.07 44.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.73 2.287 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 54.93 48.24 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.12 -143.0 6.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 14' ' ' LEU . 96.0 t -87.43 -48.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.089 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -61.39 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 tpp -51.37 -19.38 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -86.89 -31.39 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 13.51 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 43.92 95.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 45' ' ' ALA . 14.7 p -113.54 110.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 54' ' ' ASP . 4.2 pp -85.07 164.01 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.78 169.85 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 62.81 40.45 9.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CG ' HD13 ' A' ' 51' ' ' LEU . 60.6 m-20 -117.32 116.21 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -68.12 120.53 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.99 133.15 52.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.77 -27.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CD ' HD21 ' A' ' 86' ' ' LEU . 9.1 pt-20 -175.57 142.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' N ' HG21 ' A' ' 64' ' ' VAL . 78.1 t -112.44 120.47 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 79' ' ' SER . 4.3 t-20 61.72 31.2 18.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.81 22.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -141.36 112.6 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.52 114.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 59' ' ' VAL . 12.5 m -126.51 13.69 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.03 -43.9 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.68 35.74 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.59 145.24 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.0 m -81.92 147.31 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -46.18 -38.63 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -67.41 -30.27 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.79 -30.92 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.2 t -83.13 -58.26 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 p -37.57 -53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.11 -44.97 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.92 -33.06 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.8 t -68.85 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.2 pttt -54.57 -34.91 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 6.5 mtmp? -73.69 -45.01 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.7 m -43.6 -22.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . 122.73 -121.76 4.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -111.45 -33.32 6.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.53 149.34 29.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.7 m -137.26 168.96 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.457 ' CG ' HD22 ' A' ' 11' ' ' LEU . 17.0 ttm -129.97 101.18 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 83' ' ' VAL . 69.0 m-85 -95.83 123.83 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 58' ' ' GLU . 13.1 tp -112.04 110.92 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -126.16 175.62 7.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.9 t -111.9 154.48 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.02 125.88 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -49.07 -35.88 17.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.81 -34.62 77.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.0 m -79.45 -56.16 4.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.38 -52.53 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.05 132.43 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -123.69 82.83 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -144.04 121.37 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.6 133.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -133.6 166.63 22.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 42.43 28.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 165.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -141.94 149.22 39.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.48 -168.88 18.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -40.17 5.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.394 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 74.0 m -40.86 136.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 p -143.28 151.27 40.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 -58.05 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -85.21 179.83 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.16 74.5 0.39 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -141.5 140.57 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -147.99 165.28 31.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.16 -62.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -82.58 155.81 68.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.37 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -114.2 145.0 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.2 tm? -106.03 103.38 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 m -92.9 97.9 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.19 99.29 8.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.5 mm? -85.0 143.3 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.47 115.2 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -44.18 106.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 26.1 mt-10 -110.55 -41.07 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -118.08 174.91 15.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.95 -32.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' GLY . 60.1 p -159.66 152.06 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 78.5 m-85 -51.35 172.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.21 32.71 7.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 49.9 p90 -139.99 152.97 46.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -121.07 144.05 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 19.0 mt -108.22 146.02 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 4.1 ptmt -149.53 158.53 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 p -112.83 150.26 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -126.93 128.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -60.96 121.14 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.34 -48.6 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -60.8 -179.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -117.11 143.86 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.03 -146.32 14.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.46 -177.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -157.06 166.54 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -71.75 142.89 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 15.3 t -151.79 163.01 40.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t0 43.79 43.77 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.1 116.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 55.3 m -59.62 136.98 89.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.83 137.74 35.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 46.01 53.73 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.5 177.13 17.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 14' ' ' LEU . 46.1 t -46.97 -31.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -78.65 -63.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 tpp -55.94 -19.46 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -84.58 -34.32 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.16 -14.59 62.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.15 9.5 44.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 45' ' ' ALA . 1.6 p -86.98 137.78 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 pp -118.65 139.91 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.77 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 63.06 55.07 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 8.7 m-20 -124.58 107.39 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -53.49 108.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.52 127.01 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -94.99 -53.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -155.43 171.36 20.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 50.2 t -136.24 115.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 HD22 ' CG1' ' A' ' 83' ' ' VAL . 18.8 m-20 63.95 25.35 13.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.08 34.07 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -134.85 118.87 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.93 106.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.43 6.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.66 -38.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -119.14 45.14 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.5 133.75 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -61.53 151.39 33.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 3.2 t-160 -52.66 -43.72 65.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.99 -24.35 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.16 -28.25 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.39 -54.63 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.4 -54.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -56.39 -42.13 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -63.13 -27.85 69.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.79 -62.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 22.0 pttt -53.69 -39.97 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 31.6 mtmt -69.59 -37.59 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.5 p -33.93 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.49 -88.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -128.43 -48.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -118.92 153.51 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 27.4 m -136.82 173.12 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.2 ttm -124.24 110.78 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 25.7 m-85 -104.91 117.01 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.5 tp -104.75 117.56 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -133.12 177.14 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 89' ' ' ASP . 26.0 t -121.75 155.51 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.414 ' N ' HG11 ' A' ' 88' ' ' VAL . 1.1 m-20 -67.9 126.54 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 5.1 ptmt -50.14 -29.85 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 70.3 mt-10 -72.64 -44.13 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.0 m -64.1 -53.65 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.02 118.08 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -103.0 150.75 23.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -73.56 -66.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t60 69.44 52.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 4.2 m -138.08 123.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -146.73 163.68 35.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -111.11 152.5 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -86.8 103.7 15.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t -93.74 173.58 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.08 151.33 22.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -4.67 14.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.8 m 55.0 44.09 28.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.2 t -126.39 127.9 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -133.83 118.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -107.95 -59.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.48 -101.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -170.88 125.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -68.2 178.05 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.8 -82.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 4.6 mm-40 -47.25 -60.02 4.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.538 0.685 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.4 Cg_endo -69.75 151.3 69.07 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.43 150.77 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -95.37 103.07 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.3 m -89.18 99.2 12.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -87.41 119.37 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD21 ' CB ' ' A' ' 48' ' ' ALA . 3.8 mm? -97.04 148.44 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -139.12 112.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -53.65 115.64 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -117.1 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -127.62 120.22 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.54 -103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -83.77 150.36 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -51.37 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.61 -46.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -70.33 170.61 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -131.77 141.33 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.81 134.93 54.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -150.48 129.0 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -80.19 144.22 33.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.74 151.37 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLY . 27.1 pt20 -83.49 -46.53 12.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLN . . . -84.59 23.85 7.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -151.31 -175.36 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.75 148.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -89.09 157.51 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.07 172.05 19.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -74.3 129.64 38.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -114.37 -43.1 3.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -120.38 115.12 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -102.58 112.44 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -66.15 122.95 83.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.582 0.706 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 137.49 35.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.34 32.49 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.51 -152.25 11.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.7 t -78.44 -43.84 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.75 -71.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.9 tpp -41.51 -31.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.7 -40.91 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.31 -16.71 62.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.0 27.04 11.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.417 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.28 133.03 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' CG ' ' A' ' 54' ' ' ASP . 2.5 pp -117.91 150.35 39.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 153.96 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 73.65 44.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' CG ' HD12 ' A' ' 51' ' ' LEU . 28.2 m-20 -128.65 104.44 7.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -56.63 125.59 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.04 100.8 3.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mm -67.23 -34.63 70.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 13.8 pt-20 -173.76 156.79 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 85' ' ' PHE . 50.8 t -130.01 137.42 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 48.48 27.51 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.24 59.97 2.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.86 114.99 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -52.81 113.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 58' ' ' GLU . 14.6 m -121.11 16.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -44.31 -47.12 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -118.84 47.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.06 163.66 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.5 p -94.07 150.14 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -45.97 -34.22 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.09 -37.72 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.54 -38.55 87.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' LYS . 90.6 t -78.95 -63.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' VAL . 14.6 p -36.62 -43.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.54 -42.41 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mttp -64.48 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.25 -64.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -51.44 -41.73 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.7 mttt -64.31 -35.37 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.1 p -34.56 -43.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.8 -81.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.8 m -125.51 -43.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -118.62 154.75 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 11' ' ' LEU . 33.1 ttm -134.23 100.84 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 59' ' ' VAL . 97.3 m-85 -101.0 127.07 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HB3' ' CG ' ' A' ' 58' ' ' GLU . 18.3 tp -111.05 108.74 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.37 172.46 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.9 t -113.22 155.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.69 128.15 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.6 pttt -51.61 -29.29 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 89' ' ' ASP . 2.8 pt-20 -66.75 -27.57 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.2 m -91.46 -22.13 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 94' ' ' LYS . 5.9 t0 -81.93 39.16 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.6 mtmm 33.51 45.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -78.83 89.63 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -53.23 135.46 38.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.42 126.79 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.95 131.18 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -135.41 122.37 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.66 144.49 33.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 p -69.52 147.71 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -138.64 144.73 15.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.78 2.72 3.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' PRO . 8.3 t -34.53 99.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 m -110.98 44.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.537 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.781 0.242 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -104.17 133.98 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.703 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -86.02 115.71 23.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.8 m -102.03 97.83 8.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.64 105.27 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.818 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.78 143.49 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -135.51 111.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -41.38 129.12 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.8 -56.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.01 118.28 2.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.49 -92.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.4 t -116.18 155.39 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -50.21 176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.88 15.22 63.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -123.42 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -141.14 137.02 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.37 147.61 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 12.3 ptmt -152.07 146.38 25.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 64.7 p -97.15 126.28 42.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.627 HG21 ' OH ' ' A' ' 35' ' ' TYR . 22.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -104.41 160.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.627 ' OH ' HG21 ' A' ' 28' ' ' VAL . 9.6 p90 -156.85 172.34 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -80.06 133.31 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 13.8 t -119.98 -43.17 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.72 113.1 25.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.01 91.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 41' ' ' PRO . 99.1 m -47.42 138.84 8.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 150.68 68.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.208 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.9 pm0 34.41 43.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.57 -166.31 16.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.818 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -62.18 -38.41 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -62.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.3 tpp -49.53 -23.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -81.76 -38.33 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.44 -23.73 64.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 33.11 6.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.86 123.79 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.26 167.43 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.42 178.16 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 47.37 37.35 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 14.1 m-20 -108.68 111.58 23.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -57.84 125.89 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 34' ' ' VAL . 11.5 mt -66.63 137.34 56.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 ' OE1' ' A' ' 65' ' ' GLU . 20.2 mm -110.1 -36.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.2 pt-20 -173.84 145.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 HG21 ' A' ' 64' ' ' VAL . 96.2 t -117.84 131.19 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.51 29.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.06 22.39 42.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -126.71 104.25 7.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -45.33 121.63 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 56' ' ' LEU . 6.2 m -118.55 5.65 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' OE1' HD13 ' A' ' 57' ' ' ILE . 5.2 mm-40 -38.06 -55.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.43 38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 135.41 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -69.95 144.52 52.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.0 t-160 -41.27 -47.2 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 66.4 mm-40 -64.25 -41.12 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.25 -63.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.3 p -42.56 -32.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -81.02 -37.66 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mtpm? -70.32 -27.94 64.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.07 -49.12 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -66.01 -39.86 90.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 40.9 mtmt -71.92 -41.51 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 78' ' ' LYS . 2.1 m -36.22 -39.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.31 -116.35 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -110.11 -33.85 6.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -117.32 157.92 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 15.7 m -148.9 159.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.703 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.8 ttm -116.75 104.62 11.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.9 m-85 -98.3 130.04 44.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.6 tp -122.95 115.26 21.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -140.5 169.99 16.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.65 154.81 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.26 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -66.87 -31.16 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.774 0.239 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -108.69 129.01 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -84.23 113.91 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD13 ' A' ' 11' ' ' LEU . 16.1 m -100.07 97.93 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.1 100.33 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -83.48 150.37 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.8 t -143.94 122.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -53.77 117.09 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -121.69 -57.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.49 125.82 4.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 36.99 -111.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 t -86.41 145.27 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.446 ' HD1' HD12 ' A' ' 14' ' ' LEU . 23.1 m-85 -42.92 -73.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.965 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.74 -56.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 49.4 p90 -56.55 176.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 m -137.09 142.23 42.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 mt -112.99 132.24 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -145.13 144.32 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.3 p -100.29 136.13 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.15 163.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -155.49 148.21 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 13.6 mmt -59.65 128.63 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 38' ' ' ASP . 14.2 t -117.43 -41.54 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.446 ' N ' HG23 ' A' ' 37' ' ' THR . 5.3 t70 -116.51 116.08 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mm -108.04 89.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.7 m -37.86 127.52 0.97 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.504 0.668 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.67 36.07 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 55.72 38.18 29.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.99 -162.36 13.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD13 ' A' ' 14' ' ' LEU . 85.4 t -67.9 -43.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.65 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 tpp -47.27 -22.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -35.63 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.19 -12.81 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.43 33.94 15.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 HD13 ' A' ' 87' ' ' LEU . 6.7 p -103.53 129.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.45 169.53 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -83.78 178.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' MET . 91.6 m-20 39.86 28.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 52' ' ' ALA . 7.2 m-20 -91.69 110.62 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -51.67 113.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.703 HD23 ' CG2' ' A' ' 64' ' ' VAL . 1.1 tp -66.93 130.19 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD23 ' A' ' 86' ' ' LEU . 9.3 mm -94.38 -52.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 62' ' ' GLU . 11.7 pt-20 -153.58 177.51 10.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' CE1' ' A' ' 85' ' ' PHE . 48.0 t -142.81 130.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.46 HD21 ' C ' ' A' ' 60' ' ' ASN . 0.4 OUTLIER 43.77 31.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.75 41.13 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mm-40 -145.47 112.16 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.69 114.35 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.703 ' CG2' HD23 ' A' ' 56' ' ' LEU . 34.3 m -118.55 10.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -37.69 -56.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.37 41.69 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.11 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -67.25 151.55 47.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.483 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.0 t-160 -49.77 -36.85 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.22 -29.61 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.45 -39.53 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.408 HG13 HG21 ' A' ' 59' ' ' VAL . 58.3 t -73.17 -54.95 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 69' ' ' HIS . 9.4 p -47.18 -32.81 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.87 -32.43 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -71.83 -31.38 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 59' ' ' VAL . 97.7 t -73.53 -45.7 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -65.99 -52.84 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -56.37 -43.67 79.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 83' ' ' VAL . 8.5 t -34.26 -44.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.29 -109.38 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.6 m -110.97 -42.24 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -109.29 147.98 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 14' ' ' LEU . 15.6 m -135.37 169.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 11' ' ' LEU . 30.1 ttm -127.76 107.5 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 59' ' ' VAL . 68.3 m-85 -102.53 125.0 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.555 HD23 ' CG2' ' A' ' 57' ' ' ILE . 5.9 tp -116.48 115.21 25.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.22 174.23 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 9' ' ' PRO . 14.3 t -119.62 145.79 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -63.33 127.09 29.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.41 -39.74 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.0 mmp_? -97.53 151.18 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -106.58 109.9 21.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' N ' HD13 ' A' ' 11' ' ' LEU . 62.6 m -96.07 97.98 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.16 104.14 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -89.37 147.52 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 82' ' ' ARG . 73.7 t -144.93 119.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 36.7 mttp -49.51 104.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HB2' HG22 ' A' ' 44' ' ' VAL . 39.3 mt-10 -101.7 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.78 133.32 7.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.2 -103.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -119.21 157.57 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 98.0 m-85 -48.96 167.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.36 42.18 1.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 36.8 p90 -151.15 151.41 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -128.62 146.94 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.49 150.83 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 13.2 ptmt -153.0 151.62 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -113.68 132.0 55.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.24 165.77 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.58 140.71 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.517 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.5 mmt -51.89 118.96 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.8 t -109.12 -44.79 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 37' ' ' THR . 10.3 t0 -107.49 109.25 20.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 36' ' ' MET . 41.0 mm -109.55 90.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 41' ' ' PRO . 84.1 m -44.22 138.67 3.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.691 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.74 135.95 31.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 45.02 48.31 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.23 -174.15 16.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.837 HG12 HD13 ' A' ' 14' ' ' LEU . 95.7 t -49.5 -38.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -75.52 -69.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpp -43.01 -36.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -68.37 -40.3 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.31 65.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.23 37.36 3.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.795 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.5 p -108.02 122.36 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.96 168.5 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.39 159.77 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.2 m-20 57.27 28.05 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 87.6 m-20 -84.8 108.74 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.67 102.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 HD21 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -53.67 140.99 27.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -111.89 -48.65 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.3 pt-20 -152.9 173.31 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' ND2' ' A' ' 60' ' ' ASN . 83.0 t -142.19 109.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.594 ' ND2' HG12 ' A' ' 59' ' ' VAL . 5.5 m-20 70.81 28.23 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.93 20.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 64' ' ' VAL . 59.4 mt-10 -137.81 117.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -59.51 116.81 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 58' ' ' GLU . 34.6 m -122.3 21.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.15 -57.71 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -13.37 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.58 160.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' GLU . 58.5 m -95.56 145.24 25.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.464 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.9 t-80 -39.13 -49.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -55.38 -41.82 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 66.6 mm-40 -64.21 -38.07 89.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG13 HG21 ' A' ' 59' ' ' VAL . 89.8 t -75.75 -65.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.8 p -39.69 -31.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.98 -44.05 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.6 -25.06 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -76.12 -49.1 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.48 -55.27 29.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -54.13 -44.05 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.3 t -34.14 -41.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.76 -105.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 m -119.83 -37.69 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 15' ' ' VAL . 61.2 mtm180 -111.86 150.97 29.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' A' ' 60' ' ' ASN . 3.2 m -140.1 163.36 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.568 ' HG3' HD11 ' A' ' 11' ' ' LEU . 29.9 ttm -120.7 107.74 13.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 46.8 m-85 -100.8 123.27 44.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 10' ' ' ARG . 16.7 tp -115.32 112.53 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.743 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.8 171.66 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.82 147.44 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.81 130.39 43.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -55.34 -28.17 52.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 2.2 pt-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HB3' HG22 ' A' ' 88' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.731 0.221 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 86' ' ' LEU . 54.4 mtp180 -109.07 147.99 31.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.884 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.1 tm? -101.73 118.32 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' N ' HD13 ' A' ' 11' ' ' LEU . 85.7 m -106.61 109.15 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.53 104.53 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.855 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -85.46 139.7 31.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 82' ' ' ARG . 69.0 t -127.13 124.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -62.47 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.19 -58.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.1 125.42 6.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.57 -115.97 8.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 1.5 t -105.93 -68.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.875 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 14' ' ' LEU . 41.5 m-85 -166.08 -176.3 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.85 27.8 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 52.3 p90 -138.47 149.2 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 m -120.32 145.72 46.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.04 138.46 50.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -156.85 132.96 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 70.8 p -75.01 147.42 40.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.63 166.76 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 55' ' ' HIS . 8.0 p90 -157.06 148.22 21.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.585 ' HB3' HD11 ' A' ' 39' ' ' ILE . 9.1 mmt -58.54 119.88 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.7 t -102.36 -44.58 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 37' ' ' THR . 17.6 t0 -115.52 115.8 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 36' ' ' MET . 50.1 mm -108.62 88.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' HD2' ' A' ' 41' ' ' PRO . 62.6 m -33.74 135.93 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.8 151.09 68.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' PRO . 57.2 mt-30 33.85 40.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.05 -173.29 19.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.855 HG12 HD13 ' A' ' 14' ' ' LEU . 91.1 t -56.37 -38.48 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.64 -68.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.2 tpp -46.4 -29.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -77.25 -37.11 53.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.38 66.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.48 32.98 3.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.491 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -106.18 127.41 61.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.03 158.78 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.69 164.24 26.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' MET . 3.7 m-20 52.43 29.33 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 23.6 t-160 -53.32 114.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -69.14 132.58 46.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.6 mm -98.19 -52.83 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.731 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.1 pt-20 -155.15 164.16 39.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' VAL . 48.2 t -128.36 112.48 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.604 HD21 HG12 ' A' ' 83' ' ' VAL . 3.1 m120 64.51 32.19 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 45.04 7.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 6.9 tt0 -146.04 110.03 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -55.77 105.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 58' ' ' GLU . 27.7 m -117.1 2.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -18.41 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.65 2.57 11.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.34 158.27 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 p -76.25 173.09 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 18.9 t-160 -70.89 -35.74 72.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.94 -25.95 61.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -27.55 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.82 -53.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 74' ' ' GLU . 3.7 p -39.68 -48.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.482 ' N ' HG13 ' A' ' 73' ' ' VAL . 12.4 pt-20 -63.96 -45.6 88.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 33.7 mttp -53.51 -44.99 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.96 -48.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -54.46 -40.81 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 15.9 mmtt -67.48 -31.9 72.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.73 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.5 p -34.14 -54.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.65 -88.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -121.28 -52.07 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.373 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 15' ' ' VAL . 35.0 mtt180 -113.82 158.49 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 79' ' ' SER . 14.2 m -139.46 162.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.884 ' CG ' HD21 ' A' ' 11' ' ' LEU . 20.9 ttm -121.03 101.23 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 62.0 m-85 -95.81 134.45 38.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 10' ' ' ARG . 9.7 tp -122.5 116.0 23.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -131.32 173.54 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 9' ' ' PRO . 61.7 t -116.96 148.61 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.95 117.24 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 14.2 pttm -39.27 -45.33 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.8 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.832 0.264 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -120.42 131.4 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.744 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -84.4 115.77 22.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' HD13 ' A' ' 11' ' ' LEU . 15.4 m -102.93 97.93 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -84.96 103.04 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.956 HD13 HG12 ' A' ' 44' ' ' VAL . 2.0 mm? -89.56 140.0 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.62 ' O ' HG11 ' A' ' 44' ' ' VAL . 54.3 t -127.81 142.53 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.28 103.67 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -117.74 -38.04 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -115.09 176.56 16.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.86 -32.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.9 m -163.28 162.62 25.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 85.8 m-85 -52.14 174.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.35 36.58 4.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 42.1 p90 -146.11 163.24 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 m -128.03 160.62 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 34' ' ' VAL . 71.3 mt -132.61 136.63 46.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.88 143.85 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -100.34 128.21 46.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.604 HG21 ' HB3' ' A' ' 25' ' ' LEU . 8.2 p -117.65 164.2 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 34' ' ' VAL . 3.8 p90 -156.97 150.13 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.557 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.0 mmt -61.19 128.89 38.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 38' ' ' ASP . 10.0 t -117.81 -43.12 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' N ' HG23 ' A' ' 37' ' ' THR . 4.5 t0 -111.6 112.84 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 36' ' ' MET . 45.4 mm -110.86 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.5 m -51.79 126.33 32.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.56 0.695 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.7 26.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.633 2.222 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 59.73 39.6 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 -155.89 11.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.956 HG12 HD13 ' A' ' 14' ' ' LEU . 66.4 t -71.52 -39.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -74.91 -58.97 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 tpp -48.69 -22.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -82.92 -41.98 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.22 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 38.2 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.793 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 5.6 p -109.35 127.86 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.0 162.31 13.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -72.67 -176.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.1 OUTLIER 38.89 31.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 6.0 m-20 -96.29 108.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.13 108.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -56.69 129.22 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -97.82 -49.99 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.772 ' HA ' HG22 ' A' ' 64' ' ' VAL . 16.2 pt-20 -161.85 176.71 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.598 HG12 ' OD1' ' A' ' 60' ' ' ASN . 44.0 t -146.34 121.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.598 ' OD1' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER 61.52 26.03 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.67 43.6 7.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.5 mp0 -141.28 107.16 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.18 101.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 58' ' ' GLU . 24.8 m -110.1 16.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.51 -44.73 6.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.9 43.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -112.62 141.75 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.83 158.58 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG12 ' A' ' 73' ' ' VAL . 20.9 t-160 -56.18 -27.43 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -72.1 -32.03 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -36.59 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 88.8 t -75.69 -60.3 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 69' ' ' HIS . 7.5 p -37.01 -34.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -78.13 -48.61 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -54.9 -31.15 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.35 -60.58 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -51.47 -51.52 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 55.0 mttt -55.91 -44.39 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.8 t -34.15 -44.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.41 -106.91 0.88 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -110.68 -41.36 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -108.98 154.98 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.77 157.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.744 ' HG3' HD11 ' A' ' 11' ' ' LEU . 22.5 ttm -119.41 107.7 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 85.3 m-85 -104.2 125.07 50.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.79 119.86 38.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.578 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.46 174.25 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 89' ' ' ASP . 61.0 t -118.65 158.71 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.514 ' N ' HG12 ' A' ' 88' ' ' VAL . 15.7 m-20 -66.87 127.84 34.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -50.49 -18.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HG2' HD11 ' A' ' 86' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.757 0.232 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -121.55 106.87 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -68.5 111.71 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' N ' HD13 ' A' ' 11' ' ' LEU . 59.7 m -99.01 102.52 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.66 102.66 14.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -85.38 144.59 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -144.4 111.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 17.4 mtpt -44.35 106.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 44' ' ' VAL . 3.0 tp10 -103.25 -62.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.39 126.48 6.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.24 -100.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -111.11 159.75 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 88.1 m-85 -53.92 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -117.28 33.0 5.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 44.2 p90 -145.12 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -120.73 159.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.88 128.15 43.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -131.4 144.12 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -95.14 143.4 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.153 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.2 169.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.3 p90 -156.94 144.04 18.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.6 mmt -55.05 124.06 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -113.45 -38.88 4.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.52 116.68 29.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 36' ' ' MET . 38.8 mm -114.39 88.83 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -40.08 133.51 1.48 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.7 23.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.54 41.85 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.97 -168.35 14.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG12 ' CD1' ' A' ' 14' ' ' LEU . 40.0 t -53.6 -39.14 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -71.39 -72.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -42.86 -31.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -69.2 -42.95 75.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.07 -17.53 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.28 34.62 7.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -103.15 148.62 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.09 163.43 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.04 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.4 t0 47.24 29.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 8.6 m-20 -85.44 109.19 18.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 5.9 t-160 -53.99 114.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -65.27 127.93 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.8 mm -95.8 -51.1 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.717 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.4 pt-20 -157.82 171.66 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.718 HG23 HG21 ' A' ' 64' ' ' VAL . 90.5 t -136.23 122.22 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 HG12 ' A' ' 83' ' ' VAL . 3.2 m120 54.82 26.31 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.1 42.14 6.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -145.93 108.02 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -49.94 113.56 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.718 HG21 HG23 ' A' ' 59' ' ' VAL . 6.2 m -124.27 17.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -51.81 -34.5 40.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.13 -20.76 13.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -49.39 126.47 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -64.67 160.39 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 t-160 -49.01 -36.8 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.2 pt-20 -66.58 -42.22 87.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.5 mm-40 -61.96 -42.04 98.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' LYS . 89.2 t -76.49 -65.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.5 p -35.16 -35.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.3 mt-10 -77.85 -44.55 26.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 23.4 mttt -60.13 -26.16 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.42 -61.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 20.8 pttt -52.18 -37.78 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 44.4 mtmt -74.33 -36.82 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' LYS . 23.1 p -35.79 -44.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.03 -97.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.0 m -125.08 -42.43 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -109.13 153.51 23.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 HD21 ' A' ' 60' ' ' ASN . 0.4 OUTLIER -146.18 156.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.7 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.8 ttm -117.72 113.09 21.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 51.3 m-85 -108.95 124.27 50.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 tp -110.81 113.27 25.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -136.87 170.08 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 89' ' ' ASP . 16.7 t -115.84 160.34 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.8 m-20 -67.0 118.83 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -21.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.764 0.235 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.64 123.34 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.5 tm? -82.18 112.98 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.13 99.22 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.49 110.95 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD13 HG12 ' A' ' 44' ' ' VAL . 1.4 mm? -95.72 142.35 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.17 131.43 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -61.92 99.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -99.76 -60.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -130.95 132.88 7.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.97 -107.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -88.98 165.7 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -66.14 -72.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.28 -48.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 39.7 p90 -68.11 173.37 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m -138.03 154.57 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HB3' HG21 ' A' ' 34' ' ' VAL . 64.9 mt -123.04 145.39 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -160.59 137.7 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.0 p -105.91 130.33 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' LEU . 3.2 p -119.01 161.0 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.72 147.72 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.557 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 24.0 mmt -60.01 130.76 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.5 t -120.28 -45.9 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 37' ' ' THR . 5.7 t70 -110.76 112.75 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.4 mm -109.72 84.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 41' ' ' PRO . 85.7 m -38.44 137.69 0.79 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.83 157.25 60.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 53.5 mt-30 36.07 37.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.34 -175.88 21.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 14' ' ' LEU . 96.7 t -60.11 -37.35 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.19 -69.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 tpp -42.75 -26.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -78.21 -37.28 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -68.34 -20.62 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.62 34.91 5.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.9 p -110.54 131.33 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.0 pp -102.57 167.52 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -73.1 162.74 29.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 57.85 49.65 11.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.609 ' HB3' HD22 ' A' ' 87' ' ' LEU . 23.0 m-20 -111.13 106.29 15.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -52.6 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.4 123.32 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -92.98 -49.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.989 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.6 pt-20 -162.17 172.89 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 72' ' ' VAL . 60.1 t -139.55 119.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.1 26.58 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.94 34.6 17.87 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.1 mt-10 -131.43 106.81 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -50.17 110.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' HA ' ' A' ' 58' ' ' GLU . 30.6 m -124.27 20.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.26 -42.47 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 42.28 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -110.67 139.39 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -68.33 148.63 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.718 ' O ' HG12 ' A' ' 73' ' ' VAL . 11.3 t-160 -42.94 -48.72 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 7.6 pt-20 -52.07 -41.67 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 19.0 mt-10 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG13 HG21 ' A' ' 59' ' ' VAL . 94.1 t -82.91 -64.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.8 p -36.18 -41.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.57 -44.48 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' VAL . 33.0 mttt -59.19 -20.37 53.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG13 HG11 ' A' ' 83' ' ' VAL . 91.7 t -87.55 -62.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -27.71 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.3 mttm -75.41 -49.35 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 26.9 t -33.51 -43.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.94 -90.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t -132.5 -37.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -111.72 146.8 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.632 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 32.1 m -140.31 174.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.744 ' CG ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -130.56 105.69 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.632 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 76.5 m-85 -98.64 122.37 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -111.0 122.4 47.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -143.03 176.74 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.15 149.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.5 118.32 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 50.5 pttt -38.5 -47.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 17.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.661 ' HG2' HD11 ' A' ' 86' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.829 0.262 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -104.79 122.94 46.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -81.71 111.93 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.2 m -96.53 109.04 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -94.77 107.02 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -91.65 143.93 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.968 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 82' ' ' ARG . 44.5 t -139.21 120.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -53.69 122.98 10.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -122.03 -64.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.8 133.03 6.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 42.28 -113.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 p -83.98 171.37 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -68.26 -71.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.6 34.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -155.84 164.44 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -129.78 163.12 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 16.5 mt -133.83 139.32 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 16.0 ptmt -137.38 155.04 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 69.8 p -112.07 129.28 56.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 56' ' ' LEU . 2.7 m -92.18 159.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -155.32 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.48 136.0 37.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.1 t -123.62 -47.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 37' ' ' THR . 32.7 t70 -117.06 104.2 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 52' ' ' ALA . 47.1 mm -93.6 107.5 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.2 m -60.16 129.38 88.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' GLN . 54.3 Cg_endo -69.74 161.2 46.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.653 2.236 . . . . 0.0 112.377 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' PRO . 27.6 pt20 34.15 46.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 47' ' ' ARG . . . -124.35 -163.14 11.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 14' ' ' LEU . 73.5 t -69.7 -46.98 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -62.97 -64.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 tpp -45.2 -32.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 14.4 mmp_? -79.26 -36.41 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.98 29.74 11.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 2.8 p -106.45 129.12 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.9 pp -106.44 169.62 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.668 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -79.66 170.79 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.38 38.47 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 36.2 m-20 -116.23 113.14 22.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -60.27 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.912 HD12 HG23 ' A' ' 34' ' ' VAL . 13.6 mt -75.77 132.23 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -105.31 -41.64 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -173.3 144.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG12 ' ND2' ' A' ' 60' ' ' ASN . 87.4 t -116.37 132.6 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' ND2' HG12 ' A' ' 59' ' ' VAL . 20.1 p30 38.05 34.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.11 33.94 13.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.1 mm-40 -132.63 99.76 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -51.93 113.33 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 62' ' ' GLU . 16.5 m -123.38 30.46 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.32 -46.81 85.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.39 31.47 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.1 165.47 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 8.5 m -96.36 144.5 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.2 t-160 -38.18 -43.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.9 pt-20 -60.64 -42.59 97.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' SER . 56.6 mt-10 -61.63 -40.94 96.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 34' ' ' VAL . 84.6 t -70.94 -64.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.649 HG22 ' HD2' ' A' ' 77' ' ' LYS . 10.3 p -38.43 -35.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -58.09 -34.35 70.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.05 -51.5 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HD2' HG22 ' A' ' 73' ' ' VAL . 39.3 mtpt -56.79 -43.95 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.0 mttm -64.34 -39.87 94.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.563 ' CB ' HG12 ' A' ' 83' ' ' VAL . 27.5 t -34.41 -46.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.08 -102.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -113.58 -45.54 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.7 mtm180 -109.5 149.94 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.563 HG12 ' CB ' ' A' ' 79' ' ' SER . 13.8 m -135.96 170.65 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 11' ' ' LEU . 23.4 ttm -131.92 109.21 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 59' ' ' VAL . 83.2 m-85 -103.22 127.31 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 9' ' ' PRO . 18.7 tp -118.74 111.58 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.28 172.38 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.21 145.32 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.54 129.33 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -44.03 -42.23 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.841 0.267 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' HD12 ' A' ' 86' ' ' LEU . 6.3 mmp_? -111.14 154.77 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.27 122.76 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.722 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.4 m -110.34 97.98 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -85.63 108.87 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -97.62 140.88 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 82' ' ' ARG . 91.5 t -136.66 127.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -51.43 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -105.08 -52.98 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -116.1 176.5 16.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.59 -41.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 t -136.6 137.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -38.57 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.73 37.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -160.35 165.25 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -137.27 143.34 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -116.64 145.72 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -97.93 150.35 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG21 ' OH ' ' A' ' 35' ' ' TYR . 30.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.32 159.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' A' ' 28' ' ' VAL . 4.2 p90 -156.97 170.68 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.7 mmt -79.73 140.49 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -126.69 -32.52 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -128.12 118.04 22.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.08 117.42 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.6 m -68.19 128.39 93.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 128.61 16.27 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 70.3 35.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.14 -173.47 18.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 14' ' ' LEU . 31.1 t -60.22 -52.89 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.791 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -60.28 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpp -42.46 -29.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -90.53 -30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.45 23.22 11.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.791 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p -104.38 136.61 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.59 157.78 31.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 162.08 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 61.51 50.04 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' HB3' HD22 ' A' ' 87' ' ' LEU . 26.1 m-20 -124.4 108.0 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -61.41 126.68 28.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 34' ' ' VAL . 10.9 mt -68.2 136.04 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mm -108.08 -44.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -170.12 142.42 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 85' ' ' PHE . 55.8 t -114.14 128.75 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.86 33.06 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.25 31.04 35.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.823 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.2 mt-10 -131.46 91.73 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' GLU . 20.0 t-20 -35.45 122.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 62' ' ' GLU . 30.6 m -128.16 16.39 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -60.3 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.15 28.77 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.5 138.85 31.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -71.48 167.43 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.954 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -62.69 -47.07 85.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.443 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 5.3 mm-40 -60.51 -16.27 35.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.73 -37.53 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' VAL . 98.4 t -79.02 -57.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -34.96 -48.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 7.4 pt-20 -68.5 -46.61 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 31.8 mttp -55.05 -27.3 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -78.51 -61.92 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -54.76 -28.76 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 22.9 mttm -81.35 -49.38 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.7 m -35.11 -38.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.17 -137.37 9.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.24 -37.81 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.711 ' HG2' HG13 ' A' ' 15' ' ' VAL . 64.1 mtt180 -110.22 148.9 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.6 m -139.1 168.32 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.9 ttm -129.25 101.81 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.6 m-85 -95.05 132.06 40.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.3 tp -120.96 107.79 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.3 167.94 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 146.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -64.51 151.66 43.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 32.4 pttt -65.96 -53.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 12.2 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.774 0.239 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -111.18 119.81 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.668 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.8 OUTLIER -79.72 115.81 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.601 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -101.55 97.99 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.21 98.63 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.002 HD13 HG12 ' A' ' 44' ' ' VAL . 1.5 mm? -84.59 144.96 28.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 t -138.38 118.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -47.62 105.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -106.89 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.32 119.04 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.43 -107.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -101.41 149.82 23.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -47.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.55 41.47 2.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 11.3 p90 -148.32 150.26 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.8 m -114.99 162.75 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 34' ' ' VAL . 63.1 mt -129.89 142.3 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' CD ' HG21 ' A' ' 37' ' ' THR . 17.4 ptmt -160.13 135.55 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -103.72 129.64 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 25' ' ' LEU . 1.9 p -130.02 162.38 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.9 p90 -156.48 148.35 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASP . 22.5 mmt -60.54 127.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.9 t -117.47 -49.29 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 37' ' ' THR . 12.4 t70 -105.45 110.8 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.17 93.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.7 m -40.49 126.95 1.81 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 60.87 38.41 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.68 -175.13 16.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.554 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.002 HG12 HD13 ' A' ' 14' ' ' LEU . 87.8 t -51.73 -47.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.88 -69.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.5 tpp -43.77 -34.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -72.28 -39.42 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.7 68.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.68 2.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.681 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.3 p -112.82 129.91 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 51' ' ' LEU . 1.1 pt? -101.38 171.08 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.46 167.2 22.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' MET . 2.8 m-20 54.87 43.7 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 28.2 m-20 -104.22 104.56 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -51.62 103.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -54.79 131.0 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.45 -49.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -156.24 173.88 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 72' ' ' VAL . 86.8 t -141.29 112.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.625 ' ND2' HG12 ' A' ' 59' ' ' VAL . 51.1 m-20 68.51 30.33 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.04 46.56 7.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.864 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.2 tp10 -150.6 116.66 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -51.69 113.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.8 m -126.91 25.91 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.56 -44.31 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.8 -4.64 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -70.89 148.63 47.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 m -83.56 162.4 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 73' ' ' VAL . 16.7 t-160 -52.04 -43.63 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.57 -38.58 75.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.03 -40.38 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.866 HG13 HG21 ' A' ' 59' ' ' VAL . 84.0 t -72.44 -62.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 12.1 p -41.44 -44.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.4 mt-10 -68.5 -33.15 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.5 mttp -73.7 -21.85 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HG11 ' A' ' 83' ' ' VAL . 67.0 t -82.35 -67.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -47.45 -38.96 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.73 -34.38 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -40.31 -37.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.03 -95.85 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -124.08 -44.62 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -109.2 156.76 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG12 ' OD1' ' A' ' 60' ' ' ASN . 2.7 m -143.7 171.19 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.668 ' HG3' HD11 ' A' ' 11' ' ' LEU . 20.6 ttm -131.53 109.17 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 71.3 m-85 -105.48 125.01 50.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.4 116.32 28.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -140.1 175.15 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 9' ' ' PRO . 5.3 t -122.55 157.92 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.55 163.46 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -83.92 -36.8 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.763 0.234 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -107.19 146.61 31.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -95.87 113.33 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.9 m -103.17 97.97 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -89.08 111.59 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.966 HD13 HG12 ' A' ' 44' ' ' VAL . 1.7 mm? -95.13 137.57 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.734 HG13 ' CG ' ' A' ' 82' ' ' ARG . 22.0 t -128.62 118.72 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -45.29 105.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.56 -59.55 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 120.45 3.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.47 -98.6 0.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 6.7 m -119.81 -62.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 20' ' ' SER . 20.9 m-85 -167.69 -177.94 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.27 35.61 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 51.1 p90 -148.53 156.17 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -125.83 150.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 20.5 mt -117.02 147.39 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 142.13 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.2 p -97.74 138.43 35.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.67 174.58 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 p90 -157.03 146.09 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 17.6 mmt -60.56 126.7 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.6 t -116.88 -42.49 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 37' ' ' THR . 3.3 t70 -109.62 112.41 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 46' ' ' MET . 39.1 mm -103.48 90.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' ILE . 84.2 m -34.33 131.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.75 127.15 14.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 49.53 36.09 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.37 -140.29 11.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.966 HG12 HD13 ' A' ' 14' ' ' LEU . 98.4 t -85.8 -52.83 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.721 ' HB1' HG11 ' A' ' 50' ' ' VAL . . . -63.38 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.677 ' HB2' HG22 ' A' ' 39' ' ' ILE . 12.7 ttm -40.95 -37.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.9 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.22 -19.43 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.44 29.94 7.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.721 HG11 ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -100.04 131.26 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.5 mt -93.99 162.27 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.6 170.53 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER 47.57 26.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 87' ' ' LEU . 26.4 m-20 -85.6 103.33 14.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 4.1 t-160 -49.68 113.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.729 HD12 HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.04 142.69 58.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.67 -51.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.0 pt-20 -161.69 168.56 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.89 127.28 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.835 HD22 ' HA ' ' A' ' 83' ' ' VAL . 31.4 m120 51.74 39.2 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 45.44 51.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.857 ' O ' HG13 ' A' ' 64' ' ' VAL . 38.2 mt-10 -142.84 109.86 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -50.34 115.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.857 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.2 m -126.98 11.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.75 -53.42 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -89.77 -16.67 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.05 137.43 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -71.21 165.59 23.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.7 t-160 -59.24 -44.39 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -59.2 -29.31 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' OE1' ' CA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -75.47 -37.1 60.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 84.0 t -76.78 -60.11 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.8 p -33.82 -54.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.585 ' N ' HG13 ' A' ' 73' ' ' VAL . 16.5 pt-20 -64.16 -43.68 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.8 mttp -56.43 -33.28 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.38 -62.21 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.55 -34.53 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 40.6 mttt -68.34 -46.04 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.638 ' CB ' HG12 ' A' ' 83' ' ' VAL . 34.5 t -34.23 -41.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.61 -119.8 3.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -91.28 -53.48 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.734 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -109.53 159.56 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.835 ' HA ' HD22 ' A' ' 60' ' ' ASN . 23.2 m -138.01 168.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.564 ' HG3' HD11 ' A' ' 11' ' ' LEU . 26.3 ttm -123.86 101.26 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 83' ' ' VAL . 53.4 m-85 -97.04 122.43 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.27 118.12 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -140.83 172.3 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 9' ' ' PRO . 3.3 t -118.79 155.77 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 159.77 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -79.34 -32.62 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.79 0.246 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 mmm180 -106.59 140.44 39.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.8 tm? -96.08 116.3 28.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -102.25 98.23 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.82 104.15 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -93.68 144.06 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.0 t -142.32 118.66 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -48.94 118.65 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.16 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.26 137.62 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.73 -110.43 0.46 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 m -117.87 162.82 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -55.84 162.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.22 31.24 6.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 17.7 p90 -145.51 150.35 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 m -130.1 143.67 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 31.4 mt -106.36 157.67 17.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -162.81 151.25 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -103.23 126.25 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 69' ' ' HIS . 69.1 t -98.26 145.84 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -153.59 144.53 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 14.8 mmt -59.1 132.49 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 38' ' ' ASP . 15.1 t -116.52 -41.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.09 114.39 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mm -110.35 87.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -41.27 129.59 2.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.12 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 56.1 39.18 30.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.83 179.29 16.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 14' ' ' LEU . 77.6 t -48.8 -30.13 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.99 -68.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpp -46.87 -24.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -36.1 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.93 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.5 40.91 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 87' ' ' LEU . 7.2 p -112.57 125.75 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.645 HD13 ' NZ ' ' A' ' 90' ' ' LYS . 61.1 mt -91.85 159.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 164.01 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.4 m-20 55.86 25.39 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.11 114.61 25.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -55.81 112.95 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -67.04 105.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.45 -54.18 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.89 ' HA ' HG22 ' A' ' 64' ' ' VAL . 6.4 pt-20 -155.2 172.7 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.659 HG12 ' ND2' ' A' ' 60' ' ' ASN . 96.4 t -138.15 106.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.659 ' ND2' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER 69.44 36.9 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 36.93 45.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.5 mt-10 -133.68 103.82 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -50.37 107.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 58' ' ' GLU . 35.0 m -121.78 13.62 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' VAL . 23.3 mt-10 -38.47 -47.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -112.05 43.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -100.73 163.09 12.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.2 t -94.75 155.7 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 34' ' ' VAL . 4.6 t-160 -50.4 -35.14 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.18 -29.0 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.68 -33.02 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 59' ' ' VAL . 71.2 t -83.47 -55.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.1 p -41.52 -36.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.6 -44.52 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 23.7 mttp -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 59' ' ' VAL . 63.4 t -86.05 -48.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -66.78 -48.45 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.9 mtmt -59.49 -43.3 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.0 t -35.15 -42.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.26 -114.25 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -100.68 -49.6 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -109.09 160.58 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 HG13 ' A' ' 76' ' ' VAL . 2.6 m -140.95 165.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.591 ' CG ' HD21 ' A' ' 11' ' ' LEU . 25.2 ttm -119.67 107.65 13.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 63.1 m-85 -101.63 127.88 48.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.1 tp -119.26 114.0 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -132.95 172.39 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.12 148.74 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.13 119.21 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.645 ' NZ ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.21 -24.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.779 0.241 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -101.24 129.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -84.76 103.28 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.36 99.58 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -82.54 99.37 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.779 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -87.41 141.87 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 82' ' ' ARG . 23.2 t -140.46 135.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -60.24 119.8 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -126.85 -44.9 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -124.83 176.23 17.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -36.7 -48.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -128.33 138.14 52.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -44.05 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.63 35.46 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 10.2 p90 -158.03 153.03 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 m -124.35 159.25 30.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.12 126.9 42.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HD3' HG21 ' A' ' 37' ' ' THR . 30.2 pttt -127.02 153.8 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.562 HG22 HG12 ' A' ' 34' ' ' VAL . 48.9 p -100.24 147.34 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 27' ' ' THR . 17.0 m -138.54 -179.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -157.0 160.04 38.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 87' ' ' LEU . 17.9 mmt -64.23 128.04 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.701 HG21 ' HD3' ' A' ' 26' ' ' LYS . 1.3 t -142.47 161.97 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 49.59 44.22 24.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 52' ' ' ALA . 24.4 mm -51.56 118.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -66.78 121.21 76.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.38 13.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 71.22 50.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.84 -173.63 12.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.779 HG12 HD13 ' A' ' 14' ' ' LEU . 61.3 t -54.86 -36.09 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -73.08 -70.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 tpp -44.79 -26.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -83.52 -38.51 21.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.7 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 31.06 5.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.653 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.7 p -101.35 125.74 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.9 mt -94.02 144.93 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 39' ' ' ILE . . . -64.53 164.13 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.33 33.36 22.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 1.2 m-20 -98.31 109.61 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -54.44 110.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.697 HD12 HD21 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -58.26 132.85 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.97 -50.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -159.83 176.3 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -143.0 124.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.611 HD22 ' HA ' ' A' ' 83' ' ' VAL . 8.5 m120 52.3 32.52 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.96 35.13 22.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 64' ' ' VAL . 50.3 mt-10 -131.41 109.36 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -58.75 109.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.7 m -125.91 17.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -39.59 -42.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -121.69 48.3 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.56 144.25 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.1 m -62.1 149.61 40.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' O ' HG12 ' A' ' 73' ' ' VAL . 17.2 t-160 -56.56 -24.58 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.807 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 42.4 mm-40 -84.63 -22.44 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.26 -38.49 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.8 -57.33 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.3 p -38.16 -48.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 15.0 pt-20 -69.55 -44.53 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 25.5 mttm -55.73 -38.06 69.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.05 -45.95 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -63.96 -53.19 54.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.3 mttm -48.64 -40.74 28.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.602 ' CB ' HG12 ' A' ' 83' ' ' VAL . 48.1 t -33.87 -48.0 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 -107.72 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 m -99.25 -50.8 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.604 ' HB3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -114.13 164.81 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.611 ' HA ' HD22 ' A' ' 60' ' ' ASN . 5.6 m -140.86 167.75 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.851 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.3 ttm -126.43 113.05 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -107.08 132.4 53.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 111.31 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.85 176.49 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -110.0 152.51 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.5 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -23.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.808 0.253 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -114.7 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 84' ' ' MET . 1.6 tm? -84.19 113.81 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.541 ' N ' HD13 ' A' ' 11' ' ' LEU . 14.5 m -100.59 100.31 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -87.08 103.57 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -89.81 136.1 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 82' ' ' ARG . 92.3 t -129.24 132.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -59.17 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -103.06 -37.41 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -131.82 175.09 19.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.51 -48.94 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -125.33 137.09 54.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -42.32 -64.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.33 30.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -151.01 151.11 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -122.83 144.44 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.88 142.37 46.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 10.6 ptmt -146.19 152.08 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -104.36 145.63 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.73 171.44 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -157.02 147.93 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.8 mmt -61.73 134.36 56.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.0 t -122.21 -40.63 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 37' ' ' THR . 8.4 t0 -116.21 116.24 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.43 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.0 m -45.17 126.39 5.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.22 32.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 58.36 51.03 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.33 -160.94 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.757 HG12 HD13 ' A' ' 14' ' ' LEU . 87.2 t -67.05 -42.26 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.11 -63.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.2 tpp -49.44 -22.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -88.13 -33.48 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.86 -22.37 63.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.62 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.652 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.5 p -106.09 138.53 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -113.58 170.92 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -75.33 165.61 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.3 m-20 51.89 50.61 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 16.6 m-20 -114.54 106.73 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.59 100.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -55.66 130.76 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -96.69 -51.22 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.5 pt-20 -157.21 169.32 25.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' HD21 ' A' ' 56' ' ' LEU . 49.2 t -137.77 110.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.44 29.78 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.55 41.92 9.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.7 tt0 -143.49 115.65 8.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.8 109.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 58' ' ' GLU . 23.0 m -118.53 19.72 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -49.82 -40.0 40.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -122.21 41.67 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.07 136.59 43.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -61.61 143.81 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.3 t-160 -44.45 -40.79 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.0 -34.52 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.53 -43.28 81.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' LYS . 99.2 t -74.12 -61.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.2 p -38.9 -38.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -73.94 -43.2 59.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.1 mttp -61.65 -21.94 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.21 -57.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -62.08 -30.76 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 79' ' ' SER . 24.3 mttm -73.17 -43.47 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 78' ' ' LYS . 3.7 t -34.01 -43.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 -101.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.4 m -117.03 -44.43 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' HG13 ' A' ' 15' ' ' VAL . 25.7 mtt180 -109.0 155.64 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 14' ' ' LEU . 8.5 m -140.91 170.09 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.693 ' CG ' HD21 ' A' ' 11' ' ' LEU . 22.3 ttm -130.8 105.49 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.4 m-85 -99.49 128.49 45.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -120.81 114.77 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -133.86 175.67 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.09 146.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.2 125.78 25.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 24.1 pttm -42.33 -44.7 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 15.3 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.794 0.248 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -112.36 129.74 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -81.78 105.45 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.54 100.02 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.9 98.66 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -84.52 136.49 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 82' ' ' ARG . 47.0 t -140.97 104.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.8 ptpt -42.63 142.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.46 -73.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.81 117.98 4.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.01 -68.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 p -149.71 -176.52 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 3.7 m-85 -66.88 -174.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.48 44.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.501 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.4 p90 -157.44 160.26 38.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -130.94 147.26 52.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -112.41 159.76 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -159.62 154.78 25.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 72.0 p -111.62 129.93 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.69 168.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 4.0 p90 -156.54 150.83 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.58 132.58 52.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.594 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.8 t -120.13 -50.67 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.594 ' N ' HG23 ' A' ' 37' ' ' THR . 10.5 t70 -105.14 109.7 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 48.6 mm -102.99 84.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 41' ' ' PRO . 29.8 m -34.17 137.26 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.567 0.698 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.78 138.09 36.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 46.27 44.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.21 -175.0 16.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 14' ' ' LEU . 84.1 t -49.2 -43.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -71.3 -65.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 tpp -45.68 -26.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -80.6 -36.71 32.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.16 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.4 7.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.515 HG23 HD13 ' A' ' 87' ' ' LEU . 5.8 p -96.39 124.95 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.78 162.4 18.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.62 162.08 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.7 25.23 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.12 112.9 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -57.97 109.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 HD21 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -62.45 121.03 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 86' ' ' LEU . 37.7 mm -83.38 -55.76 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.775 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.7 pt-20 -154.39 171.46 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 HG21 ' A' ' 64' ' ' VAL . 48.9 t -138.01 123.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' OD1' HG12 ' A' ' 83' ' ' VAL . 1.6 m-20 56.41 28.37 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.3 31.96 29.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.4 mt-10 -129.83 102.22 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -47.33 105.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 58' ' ' GLU . 17.0 m -117.64 10.78 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' VAL . 21.0 mt-10 -34.38 -44.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -126.19 47.17 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.71 133.47 46.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -50.45 151.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.735 ' O ' HG12 ' A' ' 73' ' ' VAL . 7.9 t-160 -58.42 -34.36 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.2 -22.12 55.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -79.81 -31.99 40.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' LYS . 86.4 t -85.86 -61.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.4 p -35.37 -46.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.7 pt-20 -67.97 -42.67 80.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 46.5 mttt -54.99 -44.73 74.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 83' ' ' VAL . 67.4 t -61.63 -55.22 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -48.02 -50.95 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.4 mmtt -51.02 -53.05 36.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.1 t -33.02 -47.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.8 -106.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -115.54 -15.59 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.2 ptp180 -133.1 155.12 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 ' OD1' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.99 163.28 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.784 ' HG3' HD11 ' A' ' 11' ' ' LEU . 23.9 ttm -110.85 106.96 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 83' ' ' VAL . 66.2 m-85 -102.44 141.8 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 57' ' ' ILE . 7.1 tp -130.92 113.75 14.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.575 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.92 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -117.32 150.21 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.2 116.9 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 8.4 ptmt -40.22 -34.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 32.2 mp0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.749 0.229 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -124.3 120.5 32.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.685 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.7 OUTLIER -75.09 113.36 12.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.514 ' N ' HD13 ' A' ' 11' ' ' LEU . 63.7 m -99.89 97.91 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.55 101.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.716 HD13 HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -85.56 130.18 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.608 HG13 ' HG2' ' A' ' 82' ' ' ARG . 77.3 t -132.62 103.56 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.635 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.5 ptmm? -49.34 117.84 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 15.3 pt-20 -92.35 -51.61 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.34 132.12 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.95 -88.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t -112.9 175.69 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 8.3 m-85 -68.89 -175.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.71 43.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 9.7 p90 -163.96 166.5 21.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 37' ' ' THR . 3.0 m -135.63 143.45 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 21.5 mt -99.63 161.78 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -162.93 158.48 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -112.87 148.43 34.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' OH ' ' A' ' 35' ' ' TYR . 11.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG23 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -117.65 173.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 28' ' ' VAL . 2.0 p90 -157.92 176.63 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.602 ' HB3' HD11 ' A' ' 39' ' ' ILE . 17.5 mmt -76.23 141.13 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CD ' ' A' ' 26' ' ' LYS . 14.7 t -157.0 154.05 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 57.32 34.03 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.602 HD11 ' HB3' ' A' ' 36' ' ' MET . 48.2 mm -42.02 123.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.6 m -77.7 130.56 73.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.29 29.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 59.16 42.99 17.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.04 -171.68 13.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.716 HG12 HD13 ' A' ' 14' ' ' LEU . 98.0 t -54.16 -71.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.864 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -43.32 -63.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 tpt -49.07 -22.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -92.05 -32.7 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -24.22 64.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.12 21.36 7.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.864 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 10.9 p -96.46 142.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.191 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.6 pp -120.38 160.73 22.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -59.39 165.47 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 54.85 41.75 31.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.714 ' HB3' HD22 ' A' ' 87' ' ' LEU . 16.7 m-20 -103.65 100.12 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -59.72 124.51 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 64' ' ' VAL . 10.7 mt -69.25 124.66 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.4 mm -98.22 -34.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -175.8 167.34 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.7 t -136.29 135.66 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.0 m-20 36.94 30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . 90.12 36.72 7.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.4 mp0 -141.43 107.16 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.92 121.16 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 56' ' ' LEU . 18.6 m -122.72 15.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.85 -59.12 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 25.5 t0 -108.89 40.04 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.5 142.18 31.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -66.03 153.18 42.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.527 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.1 t-160 -52.63 -40.42 62.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 36.0 mt-10 -68.57 -35.6 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -65.06 -40.55 94.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . 61.0 t -76.91 -62.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 74' ' ' GLU . 9.4 p -35.81 -47.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.538 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.6 mt-10 -61.44 -45.72 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' VAL . 28.2 mttp -55.14 -42.85 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 83' ' ' VAL . 84.4 t -73.84 -53.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 73' ' ' VAL . 25.1 mtpp -47.32 -46.64 25.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' SER . 36.1 mtmt -69.66 -45.88 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.447 ' CB ' HG12 ' A' ' 83' ' ' VAL . 5.0 t -34.76 -41.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.67 -127.71 5.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -100.41 -22.45 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.608 ' HG2' HG13 ' A' ' 15' ' ' VAL . 30.0 mtt180 -122.48 148.81 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 76' ' ' VAL . 3.1 m -146.74 171.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.685 ' HG3' HD11 ' A' ' 11' ' ' LEU . 31.5 ttm -122.91 109.1 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -105.57 128.92 53.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 tp -112.1 103.71 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 54' ' ' ASP . 2.0 mt -116.31 167.56 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.51 150.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.88 145.92 54.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -67.09 -39.43 86.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.761 0.234 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -108.7 129.06 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.804 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -89.19 116.16 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -103.03 98.2 8.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.07 105.83 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -89.06 150.22 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.67 129.9 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -52.89 117.73 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.8 tt0 -120.64 -60.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -122.34 176.45 16.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.28 -46.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -122.45 129.24 51.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -39.96 -69.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.39 33.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -155.56 149.82 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -101.49 144.91 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 mt -121.96 127.65 50.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -151.84 139.95 20.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.6 p -98.43 163.91 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.09 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.626 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.9 p90 -156.74 160.18 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -70.83 137.04 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 38' ' ' ASP . 5.3 t -117.14 -45.48 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 37' ' ' THR . 32.5 t70 -122.63 115.74 22.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -98.81 119.45 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 m -67.72 132.82 92.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.13 27.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.05 42.75 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.3 176.6 16.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.842 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -47.18 -52.58 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -57.6 -61.76 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.9 tpp -53.55 -25.28 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -85.92 -33.09 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.29 65.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 39.93 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.3 p -111.67 124.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.17 165.98 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 177.75 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 43.64 38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -110.23 118.12 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -66.28 131.29 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' A' ' 35' ' ' TYR . 5.0 mp -76.12 117.2 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 mm -83.61 -31.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' CD ' ' C ' ' A' ' 58' ' ' GLU . 1.6 pp20? -175.44 158.53 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.85 130.66 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.22 38.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.06 45.51 8.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -146.36 114.8 6.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.68 115.43 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.03 4.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -41.11 -41.53 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -115.52 44.66 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 144.05 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -80.01 151.21 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 73' ' ' VAL . 15.7 t-160 -39.13 -56.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.5 pt-20 -43.53 -42.56 5.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 56.9 mm-40 -67.81 -33.4 74.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' VAL . 76.0 t -78.88 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 74' ' ' GLU . 2.9 p -33.95 -48.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.9 pt-20 -68.37 -46.91 68.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 30.3 mttp -59.33 -14.16 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG13 HG11 ' A' ' 83' ' ' VAL . 74.7 t -93.28 -59.7 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.8 pttt -60.0 -34.75 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 79' ' ' SER . 41.0 mtmt -70.03 -45.6 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.9 t -35.12 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 -123.22 3.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.2 m -104.16 -27.63 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -118.29 147.0 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.764 HG23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 m -134.77 163.19 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 11' ' ' LEU . 11.3 ttm -131.93 108.77 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -101.68 131.06 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . 13.9 tp -116.65 110.22 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.438 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -126.81 173.43 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.77 150.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.88 146.98 51.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -69.18 -30.53 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.738 0.224 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -113.64 133.26 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' CG ' ' A' ' 84' ' ' MET . 3.0 tm? -92.09 116.24 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.7 m -103.28 97.97 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -82.33 102.55 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 44' ' ' VAL . 2.2 mm? -87.11 145.36 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 82' ' ' ARG . 57.9 t -140.45 127.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -56.59 100.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -94.7 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.57 117.73 2.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.68 -102.26 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -103.88 145.21 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -46.64 173.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.47 39.32 2.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -144.91 150.55 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.4 m -113.98 138.61 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 34' ' ' VAL . 70.1 mt -112.14 138.67 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -157.32 140.27 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 p -103.04 155.09 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 25' ' ' LEU . 4.6 p -109.36 159.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.0 p90 -155.3 164.35 38.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.84 135.76 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -121.06 -37.99 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -126.39 115.48 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 45' ' ' ALA . 40.1 mm -107.26 90.12 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.8 m -41.39 130.91 2.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.07 44.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.73 2.287 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 54.93 48.24 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.12 -143.0 6.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.795 HG12 HD13 ' A' ' 14' ' ' LEU . 96.0 t -87.43 -48.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.089 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.627 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.39 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 tpp -51.37 -19.38 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -86.89 -31.39 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 13.51 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 43.92 95.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.7 p -113.54 110.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD11 ' OD1' ' A' ' 54' ' ' ASP . 4.2 pp -85.07 164.01 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -78.78 169.85 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 62.81 40.45 9.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.655 ' OD1' HD11 ' A' ' 51' ' ' LEU . 60.6 m-20 -117.32 116.21 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.12 120.53 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.7 mp -63.99 133.15 52.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.77 -27.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.1 pt-20 -175.57 142.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.904 HG23 HG21 ' A' ' 64' ' ' VAL . 78.1 t -112.44 120.47 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.72 31.2 18.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.81 22.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.551 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.9 tp10 -141.36 112.6 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.52 114.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.919 HG22 ' HA ' ' A' ' 58' ' ' GLU . 12.5 m -126.51 13.69 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.03 -43.9 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.68 35.74 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.59 145.24 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.0 m -81.92 147.31 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.657 ' O ' HG12 ' A' ' 73' ' ' VAL . 12.2 t-80 -46.18 -38.63 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -67.41 -30.27 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.79 -30.92 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.612 HG13 HG21 ' A' ' 59' ' ' VAL . 92.2 t -83.13 -58.26 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.7 p -37.57 -53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 73' ' ' VAL . 10.9 pt-20 -61.11 -44.97 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 8.0 mtpm? -57.92 -33.06 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG13 HG11 ' A' ' 83' ' ' VAL . 83.8 t -68.85 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.2 pttt -54.57 -34.91 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 6.5 mtmp? -73.69 -45.01 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -43.6 -22.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . 122.73 -121.76 4.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -111.45 -33.32 6.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.53 149.34 29.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.646 HG11 HG13 ' A' ' 76' ' ' VAL . 16.7 m -137.26 168.96 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.926 ' CG ' HD21 ' A' ' 11' ' ' LEU . 17.0 ttm -129.97 101.18 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 83' ' ' VAL . 69.0 m-85 -95.83 123.83 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 tp -112.04 110.92 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.57 HD22 ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -126.16 175.62 7.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 89' ' ' ASP . 45.9 t -111.9 154.48 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' N ' HG12 ' A' ' 88' ' ' VAL . 75.3 m-20 -65.02 125.88 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -49.07 -35.88 17.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.777 0.241 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.8 ptp180 -114.2 145.0 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.771 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.2 tm? -106.03 103.38 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 m -92.9 97.9 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.19 99.29 8.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.819 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -85.0 143.3 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.869 HG13 ' HB3' ' A' ' 82' ' ' ARG . 12.8 t -141.47 115.2 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -44.18 106.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 26.1 mt-10 -110.55 -41.07 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -118.08 174.91 15.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.95 -32.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' GLY . 60.1 p -159.66 152.06 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 78.5 m-85 -51.35 172.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.21 32.71 7.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 49.9 p90 -139.99 152.97 46.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 37' ' ' THR . 2.9 m -121.07 144.05 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 19.0 mt -108.22 146.02 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.599 ' CD ' HG21 ' A' ' 37' ' ' THR . 4.1 ptmt -149.53 158.53 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 p -112.83 150.26 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.46 -177.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 2.4 p90 -157.06 166.54 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.702 ' HB3' HD11 ' A' ' 39' ' ' ILE . 20.1 mmt -71.75 142.89 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CD ' ' A' ' 26' ' ' LYS . 15.3 t -151.79 163.01 40.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t0 43.79 43.77 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.702 HD11 ' HB3' ' A' ' 36' ' ' MET . 40.2 mm -53.1 116.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.3 m -59.62 136.98 89.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.83 137.74 35.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 46.01 53.73 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.5 177.13 17.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD13 ' A' ' 14' ' ' LEU . 46.1 t -46.97 -31.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -78.65 -63.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 tpp -55.94 -19.46 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -84.58 -34.32 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.16 -14.59 62.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.15 9.5 44.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 45' ' ' ALA . 1.6 p -86.98 137.78 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 51' ' ' LEU . 3.4 pp -118.65 139.91 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.77 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 63.06 55.07 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' HD22 ' A' ' 87' ' ' LEU . 8.7 m-20 -124.58 107.39 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -53.49 108.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD23 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -59.52 127.01 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -94.99 -53.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.1 pt-20 -155.43 171.36 20.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG22 ' HD1' ' A' ' 85' ' ' PHE . 50.2 t -136.24 115.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 83' ' ' VAL . 3.3 m120 63.95 25.35 13.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.08 34.07 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.4 tp10 -134.85 118.87 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.93 106.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG21 HD23 ' A' ' 56' ' ' LEU . 16.1 m -112.43 6.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.66 -38.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -119.14 45.14 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -114.5 133.75 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -61.53 151.39 33.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.2 t-160 -52.66 -43.72 65.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.99 -24.35 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.16 -28.25 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.39 -54.63 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.4 p -42.4 -54.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.554 ' H ' HG13 ' A' ' 73' ' ' VAL . 15.2 pt-20 -56.39 -42.13 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.7 mtpm? -63.13 -27.85 69.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.79 -62.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 22.0 pttt -53.69 -39.97 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 31.6 mtmt -69.59 -37.59 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.47 ' CB ' HG12 ' A' ' 83' ' ' VAL . 4.5 p -33.93 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.49 -88.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -128.43 -48.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.869 ' HB3' HG13 ' A' ' 15' ' ' VAL . 8.5 ptm180 -118.92 153.51 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 27.4 m -136.82 173.12 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.771 ' SD ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -124.24 110.78 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 25.7 m-85 -104.91 117.01 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 17.5 tp -104.75 117.56 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -133.12 177.14 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 89' ' ' ASP . 26.0 t -121.75 155.51 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.1 m-20 -67.9 126.54 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 5.1 ptmt -50.14 -29.85 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 70.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.79 0.246 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.43 150.77 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -95.37 103.07 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.3 m -89.18 99.2 12.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -87.41 119.37 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' HD2' ' A' ' 85' ' ' PHE . 3.8 mm? -97.04 148.44 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HG2' ' A' ' 82' ' ' ARG . 46.2 t -139.12 112.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -53.65 115.64 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -117.1 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -127.62 120.22 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.54 -103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -83.77 150.36 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -51.37 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.61 -46.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -70.33 170.61 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -131.77 141.33 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.81 134.93 54.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HD3' HG21 ' A' ' 37' ' ' THR . 8.4 pttp -150.48 129.0 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 34' ' ' VAL . 21.9 p -80.19 144.22 33.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 HG22 ' A' ' 27' ' ' THR . 34.5 m -89.09 157.51 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.722 ' HA ' HD13 ' A' ' 56' ' ' LEU . 5.2 p90 -157.07 172.05 19.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -74.3 129.64 38.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.445 HG21 ' HD3' ' A' ' 26' ' ' LYS . 10.0 t -114.37 -43.1 3.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 37' ' ' THR . 25.3 t0 -120.38 115.12 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 ' HB2' ' A' ' 52' ' ' ALA . 51.4 mm -102.58 112.44 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -66.15 122.95 83.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.582 0.706 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 137.49 35.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.34 32.49 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.51 -152.25 11.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 14' ' ' LEU . 97.7 t -78.44 -43.84 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.75 -71.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.9 tpp -41.51 -31.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.7 -40.91 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.31 -16.71 62.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.0 27.04 11.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.417 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.28 133.03 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.91 150.35 39.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -57.88 153.96 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 73.65 44.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -128.65 104.44 7.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -56.63 125.59 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.1 mp -73.04 100.8 3.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mm -67.23 -34.63 70.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 64' ' ' VAL . 13.8 pt-20 -173.76 156.79 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 85' ' ' PHE . 50.8 t -130.01 137.42 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 48.48 27.51 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.24 59.97 2.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.86 114.99 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -52.81 113.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 58' ' ' GLU . 14.6 m -121.11 16.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -44.31 -47.12 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -118.84 47.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.06 163.66 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.5 p -94.07 150.14 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.588 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -45.97 -34.22 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . 43.0 mt-10 -69.09 -37.72 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.54 -38.55 87.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' LYS . 90.6 t -78.95 -63.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.6 p -36.62 -43.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 73' ' ' VAL . 13.2 mt-10 -63.54 -42.41 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mttp -64.48 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.25 -64.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -51.44 -41.73 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.7 mttt -64.31 -35.37 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.1 p -34.56 -43.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.8 -81.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.8 m -125.51 -43.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.657 ' HG2' HG22 ' A' ' 15' ' ' VAL . 46.7 mtm180 -118.62 154.75 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -131.44 170.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.781 ' HG3' HD11 ' A' ' 11' ' ' LEU . 33.1 ttm -134.23 100.84 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' HG22 ' A' ' 59' ' ' VAL . 97.3 m-85 -101.0 127.07 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 58' ' ' GLU . 18.3 tp -111.05 108.74 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -128.37 172.46 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 9' ' ' PRO . 57.9 t -113.22 155.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.69 128.15 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.6 pttt -51.61 -29.29 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 89' ' ' ASP . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -123.04 41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -92.6 99.61 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 111.48 0.98 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -100.83 -55.35 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.825 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -129.94 150.73 51.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.61 -125.68 0.99 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.7 tt0 -60.83 -58.35 19.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.76 175.28 8.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -104.17 133.98 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.703 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -86.02 115.71 23.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.8 m -102.03 97.83 8.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.64 105.27 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.818 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.78 143.49 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -135.51 111.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -41.38 129.12 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.8 -56.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.01 118.28 2.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.49 -92.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.4 t -116.18 155.39 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -50.21 176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.88 15.22 63.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -123.42 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -141.14 137.02 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.37 147.61 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 12.3 ptmt -152.07 146.38 25.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 64.7 p -97.15 126.28 42.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.627 HG21 ' OH ' ' A' ' 35' ' ' TYR . 22.6 t -102.25 137.45 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.22 -41.35 3.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -78.79 147.48 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -108.71 121.56 45.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.59 158.49 21.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -104.41 160.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.627 ' OH ' HG21 ' A' ' 28' ' ' VAL . 9.6 p90 -156.85 172.34 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -80.06 133.31 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 13.8 t -119.98 -43.17 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.72 113.1 25.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.01 91.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 41' ' ' PRO . 99.1 m -47.42 138.84 8.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 150.68 68.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.208 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.9 pm0 34.41 43.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.57 -166.31 16.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.818 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -62.18 -38.41 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -62.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.3 tpp -49.53 -23.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -81.76 -38.33 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.44 -23.73 64.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 33.11 6.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.86 123.79 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.26 167.43 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.42 178.16 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 47.37 37.35 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 14.1 m-20 -108.68 111.58 23.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -57.84 125.89 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 34' ' ' VAL . 11.5 mt -66.63 137.34 56.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 ' OE1' ' A' ' 65' ' ' GLU . 20.2 mm -110.1 -36.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.2 pt-20 -173.84 145.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 HG21 ' A' ' 64' ' ' VAL . 96.2 t -117.84 131.19 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.51 29.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.06 22.39 42.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -126.71 104.25 7.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -45.33 121.63 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 56' ' ' LEU . 6.2 m -118.55 5.65 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' OE1' HD13 ' A' ' 57' ' ' ILE . 5.2 mm-40 -38.06 -55.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.43 38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 135.41 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -69.95 144.52 52.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.0 t-160 -41.27 -47.2 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 66.4 mm-40 -64.25 -41.12 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.25 -63.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.3 p -42.56 -32.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -81.02 -37.66 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mtpm? -70.32 -27.94 64.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.07 -49.12 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -66.01 -39.86 90.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 40.9 mtmt -71.92 -41.51 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 78' ' ' LYS . 2.1 m -36.22 -39.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.31 -116.35 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -110.11 -33.85 6.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -117.32 157.92 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 15.7 m -148.9 159.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.703 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.8 ttm -116.75 104.62 11.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.9 m-85 -98.3 130.04 44.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.6 tp -122.95 115.26 21.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -140.5 169.99 16.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.65 154.81 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.26 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -66.87 -31.16 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.95 -46.24 21.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 m -57.95 -50.7 72.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -66.32 175.41 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 80.3 mttt -134.06 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -116.84 174.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -64.33 95.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.7 t -96.98 116.84 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' LYS . 10.4 pt-20 -157.95 162.71 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -51.26 88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 38.2 mttm -50.17 158.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 t -115.13 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.63 -158.32 29.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.18 37.29 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -116.2 134.75 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 m -140.67 143.48 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m 57.46 41.79 25.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -104.75 171.33 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.7 99.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -126.47 160.73 29.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -104.49 146.04 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.52 -139.55 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.522 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.7 tt0 -51.63 -58.29 11.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.79 176.5 6.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -108.69 129.01 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -84.23 113.91 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD13 ' A' ' 11' ' ' LEU . 16.1 m -100.07 97.93 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.1 100.33 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -83.48 150.37 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.8 t -143.94 122.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -53.77 117.09 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -121.69 -57.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.49 125.82 4.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 36.99 -111.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 t -86.41 145.27 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.446 ' HD1' HD12 ' A' ' 14' ' ' LEU . 23.1 m-85 -42.92 -73.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.965 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.74 -56.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 49.4 p90 -56.55 176.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 m -137.09 142.23 42.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 mt -112.99 132.24 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -145.13 144.32 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.3 p -100.29 136.13 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.77 148.72 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -82.05 41.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.48 30.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -134.42 -175.07 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -114.2 129.69 56.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.57 -134.32 46.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.15 163.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -155.49 148.21 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 13.6 mmt -59.65 128.63 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 38' ' ' ASP . 14.2 t -117.43 -41.54 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.446 ' N ' HG23 ' A' ' 37' ' ' THR . 5.3 t70 -116.51 116.08 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mm -108.04 89.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.7 m -37.86 127.52 0.97 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.504 0.668 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.67 36.07 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 55.72 38.18 29.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.99 -162.36 13.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD13 ' A' ' 14' ' ' LEU . 85.4 t -67.9 -43.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.65 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 tpp -47.27 -22.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -35.63 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.19 -12.81 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.43 33.94 15.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 HD13 ' A' ' 87' ' ' LEU . 6.7 p -103.53 129.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.45 169.53 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -83.78 178.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' MET . 91.6 m-20 39.86 28.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 52' ' ' ALA . 7.2 m-20 -91.69 110.62 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -51.67 113.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD23 ' CG2' ' A' ' 64' ' ' VAL . 1.1 tp -66.93 130.19 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD23 ' A' ' 86' ' ' LEU . 9.3 mm -94.38 -52.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 62' ' ' GLU . 11.7 pt-20 -153.58 177.51 10.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' CE1' ' A' ' 85' ' ' PHE . 48.0 t -142.81 130.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.46 HD21 ' C ' ' A' ' 60' ' ' ASN . 0.4 OUTLIER 43.77 31.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.75 41.13 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mm-40 -145.47 112.16 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.69 114.35 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.703 ' CG2' HD23 ' A' ' 56' ' ' LEU . 34.3 m -118.55 10.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -37.69 -56.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.37 41.69 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.11 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -67.25 151.55 47.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.483 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.0 t-160 -49.77 -36.85 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.22 -29.61 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.45 -39.53 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.408 HG13 HG21 ' A' ' 59' ' ' VAL . 58.3 t -73.17 -54.95 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 69' ' ' HIS . 9.4 p -47.18 -32.81 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.87 -32.43 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -71.83 -31.38 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 59' ' ' VAL . 97.7 t -73.53 -45.7 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -65.99 -52.84 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -56.37 -43.67 79.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 83' ' ' VAL . 8.5 t -34.26 -44.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.29 -109.38 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.6 m -110.97 -42.24 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -109.29 147.98 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 14' ' ' LEU . 15.6 m -135.37 169.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 11' ' ' LEU . 30.1 ttm -127.76 107.5 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 59' ' ' VAL . 68.3 m-85 -102.53 125.0 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD23 ' CG2' ' A' ' 57' ' ' ILE . 5.9 tp -116.48 115.21 25.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.22 174.23 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 9' ' ' PRO . 14.3 t -119.62 145.79 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -63.33 127.09 29.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.41 -39.74 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -45.12 -46.26 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.9 m -79.29 -50.89 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.31 131.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -82.12 41.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -51.63 165.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.99 124.15 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.9 t -117.63 117.56 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -127.51 112.06 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.49 141.28 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -81.82 112.33 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -46.9 -43.85 19.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.33 69.3 1.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -103.9 140.2 38.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.7 t -127.17 -52.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -78.41 158.01 28.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -39.94 -45.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.42 -141.51 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -101.21 176.35 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 t -138.5 131.97 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 31.68 0.54 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 8.4 mt-30 -61.59 -60.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.559 0.695 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.0 Cg_endo -69.74 170.28 16.91 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.0 mmp_? -97.53 151.18 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -106.58 109.9 21.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' N ' HD13 ' A' ' 11' ' ' LEU . 62.6 m -96.07 97.98 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.16 104.14 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -89.37 147.52 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 82' ' ' ARG . 73.7 t -144.93 119.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 36.7 mttp -49.51 104.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HB2' HG22 ' A' ' 44' ' ' VAL . 39.3 mt-10 -101.7 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.78 133.32 7.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.2 -103.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -119.21 157.57 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 98.0 m-85 -48.96 167.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.36 42.18 1.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 36.8 p90 -151.15 151.41 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -128.62 146.94 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.49 150.83 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 13.2 ptmt -153.0 151.62 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -113.68 132.0 55.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -111.4 135.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -40.77 -62.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.74 56.27 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -160.06 170.23 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' GLY . 21.6 mtpp -119.4 164.36 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LYS . . . 36.69 -139.25 0.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.24 165.77 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.58 140.71 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.517 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.5 mmt -51.89 118.96 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.8 t -109.12 -44.79 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 37' ' ' THR . 10.3 t0 -107.49 109.25 20.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 36' ' ' MET . 41.0 mm -109.55 90.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 41' ' ' PRO . 84.1 m -44.22 138.67 3.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.691 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.74 135.95 31.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 45.02 48.31 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.23 -174.15 16.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.837 HG12 HD13 ' A' ' 14' ' ' LEU . 95.7 t -49.5 -38.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -75.52 -69.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpp -43.01 -36.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -68.37 -40.3 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.31 65.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.23 37.36 3.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.795 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.5 p -108.02 122.36 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.96 168.5 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.39 159.77 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.2 m-20 57.27 28.05 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 87.6 m-20 -84.8 108.74 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.67 102.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 HD21 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -53.67 140.99 27.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -111.89 -48.65 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.3 pt-20 -152.9 173.31 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' ND2' ' A' ' 60' ' ' ASN . 83.0 t -142.19 109.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.594 ' ND2' HG12 ' A' ' 59' ' ' VAL . 5.5 m-20 70.81 28.23 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.93 20.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 64' ' ' VAL . 59.4 mt-10 -137.81 117.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -59.51 116.81 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 58' ' ' GLU . 34.6 m -122.3 21.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.15 -57.71 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -13.37 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.58 160.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' GLU . 58.5 m -95.56 145.24 25.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.9 t-80 -39.13 -49.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -55.38 -41.82 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 66.6 mm-40 -64.21 -38.07 89.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG13 HG21 ' A' ' 59' ' ' VAL . 89.8 t -75.75 -65.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.8 p -39.69 -31.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.98 -44.05 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.6 -25.06 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -76.12 -49.1 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.48 -55.27 29.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -54.13 -44.05 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.3 t -34.14 -41.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.76 -105.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 m -119.83 -37.69 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 15' ' ' VAL . 61.2 mtm180 -111.86 150.97 29.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' A' ' 60' ' ' ASN . 3.2 m -140.1 163.36 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.568 ' HG3' HD11 ' A' ' 11' ' ' LEU . 29.9 ttm -120.7 107.74 13.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 46.8 m-85 -100.8 123.27 44.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 10' ' ' ARG . 16.7 tp -115.32 112.53 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.743 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.8 171.66 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.82 147.44 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.81 130.39 43.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -55.34 -28.17 52.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 2.2 pt-20 -84.48 -19.72 32.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 m -86.93 -43.65 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -67.03 128.01 34.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -30.32 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -69.48 95.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -148.51 172.46 14.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 m -111.35 172.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.51 139.72 53.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -84.0 136.53 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -102.49 162.48 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -145.43 167.83 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.3 154.36 16.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.409 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 146.15 59.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.8 t -87.15 -59.38 2.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.7 t -65.91 115.45 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -82.91 126.62 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -82.45 147.6 28.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.36 89.47 0.41 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 50.49 44.36 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -127.72 114.14 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.4 33.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.8 mt-30 -50.29 -60.04 6.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.2 Cg_endo -69.75 177.65 5.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.238 . . . . 0.0 112.392 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 86' ' ' LEU . 54.4 mtp180 -109.07 147.99 31.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.884 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.1 tm? -101.73 118.32 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' N ' HD13 ' A' ' 11' ' ' LEU . 85.7 m -106.61 109.15 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.53 104.53 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.855 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -85.46 139.7 31.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 82' ' ' ARG . 69.0 t -127.13 124.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -62.47 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.19 -58.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.1 125.42 6.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.57 -115.97 8.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 1.5 t -105.93 -68.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.875 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 14' ' ' LEU . 41.5 m-85 -166.08 -176.3 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.85 27.8 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 52.3 p90 -138.47 149.2 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 m -120.32 145.72 46.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.04 138.46 50.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -156.85 132.96 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 70.8 p -75.01 147.42 40.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -113.49 126.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.68 134.06 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.71 -29.33 3.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 28' ' ' VAL . 24.6 mtpp -97.78 141.51 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.47 158.57 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 170.46 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.63 166.76 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 55' ' ' HIS . 8.0 p90 -157.06 148.22 21.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.585 ' HB3' HD11 ' A' ' 39' ' ' ILE . 9.1 mmt -58.54 119.88 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.7 t -102.36 -44.58 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 37' ' ' THR . 17.6 t0 -115.52 115.8 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 36' ' ' MET . 50.1 mm -108.62 88.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' HD2' ' A' ' 41' ' ' PRO . 62.6 m -33.74 135.93 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.8 151.09 68.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' PRO . 57.2 mt-30 33.85 40.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.05 -173.29 19.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.855 HG12 HD13 ' A' ' 14' ' ' LEU . 91.1 t -56.37 -38.48 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.64 -68.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.2 tpp -46.4 -29.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -77.25 -37.11 53.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.38 66.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.48 32.98 3.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.491 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -106.18 127.41 61.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.03 158.78 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.69 164.24 26.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' MET . 3.7 m-20 52.43 29.33 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 23.6 t-160 -53.32 114.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -69.14 132.58 46.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.6 mm -98.19 -52.83 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.731 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.1 pt-20 -155.15 164.16 39.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' VAL . 48.2 t -128.36 112.48 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.604 HD21 HG12 ' A' ' 83' ' ' VAL . 3.1 m120 64.51 32.19 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 45.04 7.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 6.9 tt0 -146.04 110.03 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -55.77 105.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 58' ' ' GLU . 27.7 m -117.1 2.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -18.41 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.65 2.57 11.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.34 158.27 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 p -76.25 173.09 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 18.9 t-160 -70.89 -35.74 72.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.94 -25.95 61.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -27.55 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.82 -53.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 74' ' ' GLU . 3.7 p -39.68 -48.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' N ' HG13 ' A' ' 73' ' ' VAL . 12.4 pt-20 -63.96 -45.6 88.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 33.7 mttp -53.51 -44.99 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.96 -48.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -54.46 -40.81 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 15.9 mmtt -67.48 -31.9 72.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.73 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.5 p -34.14 -54.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.65 -88.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -121.28 -52.07 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.373 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 15' ' ' VAL . 35.0 mtt180 -113.82 158.49 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 79' ' ' SER . 14.2 m -139.46 162.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.884 ' CG ' HD21 ' A' ' 11' ' ' LEU . 20.9 ttm -121.03 101.23 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 62.0 m-85 -95.81 134.45 38.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 10' ' ' ARG . 9.7 tp -122.5 116.0 23.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -131.32 173.54 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 9' ' ' PRO . 61.7 t -116.96 148.61 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.95 117.24 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 14.2 pttm -39.27 -45.33 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.8 tm-20 -39.63 -45.84 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 93' ' ' ASP . 87.0 m -76.04 -52.33 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 92' ' ' THR . 1.0 OUTLIER -35.28 118.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -58.39 118.52 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -144.04 127.45 16.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -68.87 128.64 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.0 t -100.87 86.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -119.63 83.98 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -104.12 87.84 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 47.98 38.05 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -71.43 125.51 27.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.37 -162.3 29.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -41.64 4.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 129.27 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -85.16 113.64 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -80.27 150.56 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -105.91 158.27 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.8 141.99 4.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -131.4 -179.39 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -95.51 -63.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.15 43.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.3 tt0 -48.39 -58.26 8.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.1 Cg_endo -69.83 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.631 2.22 . . . . 0.0 112.3 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -120.42 131.4 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.744 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -84.4 115.77 22.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' HD13 ' A' ' 11' ' ' LEU . 15.4 m -102.93 97.93 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -84.96 103.04 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.956 HD13 HG12 ' A' ' 44' ' ' VAL . 2.0 mm? -89.56 140.0 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.62 ' O ' HG11 ' A' ' 44' ' ' VAL . 54.3 t -127.81 142.53 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.28 103.67 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -117.74 -38.04 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -115.09 176.56 16.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.86 -32.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.9 m -163.28 162.62 25.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 85.8 m-85 -52.14 174.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.35 36.58 4.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 42.1 p90 -146.11 163.24 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 m -128.03 160.62 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 34' ' ' VAL . 71.3 mt -132.61 136.63 46.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.88 143.85 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -100.34 128.21 46.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.43 120.63 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -50.52 114.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.35 -50.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -68.85 -177.03 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -129.07 119.88 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.87 -174.56 31.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.604 HG21 ' HB3' ' A' ' 25' ' ' LEU . 8.2 p -117.65 164.2 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 34' ' ' VAL . 3.8 p90 -156.97 150.13 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.557 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.0 mmt -61.19 128.89 38.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 38' ' ' ASP . 10.0 t -117.81 -43.12 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' N ' HG23 ' A' ' 37' ' ' THR . 4.5 t0 -111.6 112.84 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 36' ' ' MET . 45.4 mm -110.86 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.5 m -51.79 126.33 32.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.56 0.695 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.7 26.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.633 2.222 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 59.73 39.6 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 -155.89 11.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.956 HG12 HD13 ' A' ' 14' ' ' LEU . 66.4 t -71.52 -39.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -74.91 -58.97 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 tpp -48.69 -22.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -82.92 -41.98 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.22 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 38.2 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.793 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 5.6 p -109.35 127.86 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.0 162.31 13.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -72.67 -176.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.1 OUTLIER 38.89 31.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 6.0 m-20 -96.29 108.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.13 108.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -56.69 129.22 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -97.82 -49.99 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.772 ' HA ' HG22 ' A' ' 64' ' ' VAL . 16.2 pt-20 -161.85 176.71 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.598 HG12 ' OD1' ' A' ' 60' ' ' ASN . 44.0 t -146.34 121.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.598 ' OD1' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER 61.52 26.03 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.67 43.6 7.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.5 mp0 -141.28 107.16 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.18 101.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 58' ' ' GLU . 24.8 m -110.1 16.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.51 -44.73 6.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.9 43.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -112.62 141.75 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.83 158.58 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG12 ' A' ' 73' ' ' VAL . 20.9 t-160 -56.18 -27.43 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -72.1 -32.03 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -36.59 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 88.8 t -75.69 -60.3 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 69' ' ' HIS . 7.5 p -37.01 -34.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -78.13 -48.61 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -54.9 -31.15 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.35 -60.58 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -51.47 -51.52 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 55.0 mttt -55.91 -44.39 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.8 t -34.15 -44.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.41 -106.91 0.88 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -110.68 -41.36 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -108.98 154.98 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.77 157.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.744 ' HG3' HD11 ' A' ' 11' ' ' LEU . 22.5 ttm -119.41 107.7 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 85.3 m-85 -104.2 125.07 50.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.79 119.86 38.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.578 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.46 174.25 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 89' ' ' ASP . 61.0 t -118.65 158.71 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.514 ' N ' HG12 ' A' ' 88' ' ' VAL . 15.7 m-20 -66.87 127.84 34.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -50.49 -18.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -57.45 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -57.04 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -62.99 114.11 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 -65.94 91.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -115.1 131.48 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.6 172.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.14 111.0 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.87 123.6 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -94.66 147.23 23.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.8 p -120.52 81.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.41 146.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 149.01 66.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.8 t -71.39 136.11 47.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.7 t -97.03 -61.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.457 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -98.16 128.93 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 121.63 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.62 135.96 14.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -144.12 168.54 19.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -83.99 171.52 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -77.07 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.491 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -48.84 -60.01 5.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.955 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.2 Cg_endo -69.76 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -121.55 106.87 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -68.5 111.71 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' N ' HD13 ' A' ' 11' ' ' LEU . 59.7 m -99.01 102.52 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.66 102.66 14.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -85.38 144.59 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -144.4 111.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 17.4 mtpt -44.35 106.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 44' ' ' VAL . 3.0 tp10 -103.25 -62.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.39 126.48 6.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.24 -100.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -111.11 159.75 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 88.1 m-85 -53.92 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -117.28 33.0 5.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 44.2 p90 -145.12 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -120.73 159.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.88 128.15 43.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -131.4 144.12 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -95.14 143.4 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 t -109.69 153.18 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.153 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -81.72 82.99 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.09 -29.69 2.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -74.28 -175.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -119.03 155.19 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.68 -133.61 2.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.2 169.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.3 p90 -156.94 144.04 18.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.6 mmt -55.05 124.06 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -113.45 -38.88 4.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.52 116.68 29.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 36' ' ' MET . 38.8 mm -114.39 88.83 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -40.08 133.51 1.48 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.7 23.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.54 41.85 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.97 -168.35 14.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG12 ' CD1' ' A' ' 14' ' ' LEU . 40.0 t -53.6 -39.14 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -71.39 -72.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -42.86 -31.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -69.2 -42.95 75.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.07 -17.53 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.28 34.62 7.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -103.15 148.62 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.09 163.43 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.04 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.4 t0 47.24 29.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 8.6 m-20 -85.44 109.19 18.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 5.9 t-160 -53.99 114.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -65.27 127.93 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.8 mm -95.8 -51.1 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.717 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.4 pt-20 -157.82 171.66 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.718 HG23 HG21 ' A' ' 64' ' ' VAL . 90.5 t -136.23 122.22 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 HG12 ' A' ' 83' ' ' VAL . 3.2 m120 54.82 26.31 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.1 42.14 6.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -145.93 108.02 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -49.94 113.56 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.718 HG21 HG23 ' A' ' 59' ' ' VAL . 6.2 m -124.27 17.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -51.81 -34.5 40.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.13 -20.76 13.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -49.39 126.47 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -64.67 160.39 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 t-160 -49.01 -36.8 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.2 pt-20 -66.58 -42.22 87.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.5 mm-40 -61.96 -42.04 98.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' LYS . 89.2 t -76.49 -65.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.5 p -35.16 -35.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.3 mt-10 -77.85 -44.55 26.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 23.4 mttt -60.13 -26.16 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.42 -61.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 20.8 pttt -52.18 -37.78 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 44.4 mtmt -74.33 -36.82 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' LYS . 23.1 p -35.79 -44.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.03 -97.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.0 m -125.08 -42.43 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -109.13 153.51 23.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 HD21 ' A' ' 60' ' ' ASN . 0.4 OUTLIER -146.18 156.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.7 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.8 ttm -117.72 113.09 21.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 51.3 m-85 -108.95 124.27 50.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 tp -110.81 113.27 25.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -136.87 170.08 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 89' ' ' ASP . 16.7 t -115.84 160.34 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.8 m-20 -67.0 118.83 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -21.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.37 -45.23 48.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -73.1 -49.77 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.43 -55.92 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -54.26 -33.39 58.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' HG3' HG22 ' A' ' 97' ' ' VAL . 10.9 ptt180 -174.82 130.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.2 45.77 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.594 HG22 ' HG3' ' A' ' 95' ' ' ARG . 34.1 m -129.96 172.94 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -101.04 149.43 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -95.24 152.12 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -98.85 80.38 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.8 m -34.65 98.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.28 90.95 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.306 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t 72.45 40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 p -129.49 147.78 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -147.59 164.19 34.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.1 p -145.76 150.7 36.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.34 141.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -130.54 139.25 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -79.0 124.08 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.74 -102.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 13.2 tp60 -58.52 -59.82 12.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.74 173.59 10.73 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.64 123.34 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.5 tm? -82.18 112.98 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.13 99.22 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.49 110.95 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD13 HG12 ' A' ' 44' ' ' VAL . 1.4 mm? -95.72 142.35 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.17 131.43 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -61.92 99.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -99.76 -60.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -130.95 132.88 7.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.97 -107.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -88.98 165.7 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -66.14 -72.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.28 -48.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 39.7 p90 -68.11 173.37 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m -138.03 154.57 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HB3' HG21 ' A' ' 34' ' ' VAL . 64.9 mt -123.04 145.39 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -160.59 137.7 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.0 p -105.91 130.33 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 30' ' ' GLY . 58.9 t -100.1 124.77 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -47.86 -41.75 24.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -83.56 33.09 3.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -155.23 -177.39 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -130.44 130.92 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.92 -172.71 53.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' LEU . 3.2 p -119.01 161.0 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.72 147.72 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.557 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 24.0 mmt -60.01 130.76 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.5 t -120.28 -45.9 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 37' ' ' THR . 5.7 t70 -110.76 112.75 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.4 mm -109.72 84.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 41' ' ' PRO . 85.7 m -38.44 137.69 0.79 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.83 157.25 60.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 53.5 mt-30 36.07 37.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.34 -175.88 21.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 14' ' ' LEU . 96.7 t -60.11 -37.35 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.19 -69.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 tpp -42.75 -26.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -78.21 -37.28 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -68.34 -20.62 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.62 34.91 5.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.9 p -110.54 131.33 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.0 pp -102.57 167.52 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -73.1 162.74 29.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 57.85 49.65 11.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.609 ' HB3' HD22 ' A' ' 87' ' ' LEU . 23.0 m-20 -111.13 106.29 15.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -52.6 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.4 123.32 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -92.98 -49.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.989 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.6 pt-20 -162.17 172.89 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 72' ' ' VAL . 60.1 t -139.55 119.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.1 26.58 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.94 34.6 17.87 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.1 mt-10 -131.43 106.81 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -50.17 110.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' HA ' ' A' ' 58' ' ' GLU . 30.6 m -124.27 20.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.26 -42.47 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 42.28 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -110.67 139.39 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -68.33 148.63 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.718 ' O ' HG12 ' A' ' 73' ' ' VAL . 11.3 t-160 -42.94 -48.72 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 7.6 pt-20 -52.07 -41.67 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 19.0 mt-10 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG13 HG21 ' A' ' 59' ' ' VAL . 94.1 t -82.91 -64.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.8 p -36.18 -41.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.57 -44.48 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' VAL . 33.0 mttt -59.19 -20.37 53.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG13 HG11 ' A' ' 83' ' ' VAL . 91.7 t -87.55 -62.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -27.71 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.3 mttm -75.41 -49.35 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 26.9 t -33.51 -43.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.94 -90.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t -132.5 -37.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -111.72 146.8 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.632 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 32.1 m -140.31 174.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.744 ' CG ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -130.56 105.69 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.632 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 76.5 m-85 -98.64 122.37 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -111.0 122.4 47.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -143.03 176.74 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.15 149.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.5 118.32 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 50.5 pttt -38.5 -47.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 17.8 mt-10 -50.75 -47.37 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 m -63.56 -57.46 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -56.34 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -58.95 89.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -75.05 -43.27 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' VAL . 44.2 m170 -47.39 101.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' HIS . 93.0 t -36.19 125.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -124.58 123.7 40.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -162.9 144.33 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 100' ' ' LYS . 8.2 tmtm? -138.15 126.64 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.57 147.71 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.29 152.77 24.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 117.51 5.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -115.16 129.11 56.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -148.95 162.36 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -71.47 121.06 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -111.4 110.15 20.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.67 56.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 p -119.45 121.13 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -47.97 119.19 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.05 -136.81 6.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.496 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 5.3 mm100 -63.81 -60.07 9.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.661 ' HG2' HD11 ' A' ' 86' ' ' LEU . 53.6 Cg_endo -69.73 -176.74 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -104.79 122.94 46.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -81.71 111.93 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.2 m -96.53 109.04 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -94.77 107.02 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -91.65 143.93 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.968 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 82' ' ' ARG . 44.5 t -139.21 120.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -53.69 122.98 10.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -122.03 -64.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.8 133.03 6.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 42.28 -113.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 p -83.98 171.37 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -68.26 -71.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.6 34.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -155.84 164.44 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -129.78 163.12 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 16.5 mt -133.83 139.32 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 16.0 ptmt -137.38 155.04 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 69.8 p -112.07 129.28 56.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -106.8 136.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -68.62 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.61 -32.77 17.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -106.73 -177.74 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -134.98 157.32 47.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.52 149.24 3.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 56' ' ' LEU . 2.7 m -92.18 159.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -155.32 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.48 136.0 37.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.1 t -123.62 -47.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 37' ' ' THR . 32.7 t70 -117.06 104.2 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 52' ' ' ALA . 47.1 mm -93.6 107.5 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.2 m -60.16 129.38 88.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' GLN . 54.3 Cg_endo -69.74 161.2 46.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.653 2.236 . . . . 0.0 112.377 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' PRO . 27.6 pt20 34.15 46.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 47' ' ' ARG . . . -124.35 -163.14 11.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 14' ' ' LEU . 73.5 t -69.7 -46.98 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -62.97 -64.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 tpp -45.2 -32.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 14.4 mmp_? -79.26 -36.41 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.98 29.74 11.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 2.8 p -106.45 129.12 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.9 pp -106.44 169.62 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.668 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -79.66 170.79 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.38 38.47 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 36.2 m-20 -116.23 113.14 22.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -60.27 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.912 HD12 HG23 ' A' ' 34' ' ' VAL . 13.6 mt -75.77 132.23 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -105.31 -41.64 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -173.3 144.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG12 ' ND2' ' A' ' 60' ' ' ASN . 87.4 t -116.37 132.6 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' ND2' HG12 ' A' ' 59' ' ' VAL . 20.1 p30 38.05 34.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.11 33.94 13.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.1 mm-40 -132.63 99.76 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -51.93 113.33 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 62' ' ' GLU . 16.5 m -123.38 30.46 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.32 -46.81 85.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.39 31.47 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.1 165.47 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 8.5 m -96.36 144.5 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.2 t-160 -38.18 -43.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.9 pt-20 -60.64 -42.59 97.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' SER . 56.6 mt-10 -61.63 -40.94 96.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 34' ' ' VAL . 84.6 t -70.94 -64.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.649 HG22 ' HD2' ' A' ' 77' ' ' LYS . 10.3 p -38.43 -35.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -58.09 -34.35 70.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.05 -51.5 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HD2' HG22 ' A' ' 73' ' ' VAL . 39.3 mtpt -56.79 -43.95 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.0 mttm -64.34 -39.87 94.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.563 ' CB ' HG12 ' A' ' 83' ' ' VAL . 27.5 t -34.41 -46.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.08 -102.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -113.58 -45.54 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.7 mtm180 -109.5 149.94 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.563 HG12 ' CB ' ' A' ' 79' ' ' SER . 13.8 m -135.96 170.65 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 11' ' ' LEU . 23.4 ttm -131.92 109.21 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 59' ' ' VAL . 83.2 m-85 -103.22 127.31 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 9' ' ' PRO . 18.7 tp -118.74 111.58 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.28 172.38 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.21 145.32 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.54 129.33 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -44.03 -42.23 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -40.25 -43.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.4 m -84.86 -46.65 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -42.99 113.3 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -41.74 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -87.48 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.54 169.96 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -171.77 164.68 6.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -149.55 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -108.12 162.45 14.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -102.67 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.82 83.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.03 2.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 t -58.25 99.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.2 m -104.95 129.38 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -56.9 120.35 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -122.03 143.56 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 79.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -72.32 -61.01 1.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -48.87 140.54 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.05 -92.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -51.89 -59.94 7.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.78 179.48 3.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' HD12 ' A' ' 86' ' ' LEU . 6.3 mmp_? -111.14 154.77 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.27 122.76 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.722 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.4 m -110.34 97.98 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -85.63 108.87 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -97.62 140.88 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 82' ' ' ARG . 91.5 t -136.66 127.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -51.43 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -105.08 -52.98 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -116.1 176.5 16.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.59 -41.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 t -136.6 137.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -38.57 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.73 37.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -160.35 165.25 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -137.27 143.34 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -116.64 145.72 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -97.93 150.35 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG21 ' OH ' ' A' ' 35' ' ' TYR . 30.7 t -128.95 136.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.94 145.66 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.65 -49.8 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -77.47 141.16 39.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -107.66 120.94 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.71 157.55 10.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.32 159.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' A' ' 28' ' ' VAL . 4.2 p90 -156.97 170.68 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.7 mmt -79.73 140.49 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -126.69 -32.52 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -128.12 118.04 22.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.08 117.42 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.6 m -68.19 128.39 93.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 128.61 16.27 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 70.3 35.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.14 -173.47 18.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 14' ' ' LEU . 31.1 t -60.22 -52.89 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.791 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -60.28 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpp -42.46 -29.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -90.53 -30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.45 23.22 11.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.791 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p -104.38 136.61 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.59 157.78 31.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 162.08 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 61.51 50.04 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' HB3' HD22 ' A' ' 87' ' ' LEU . 26.1 m-20 -124.4 108.0 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -61.41 126.68 28.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 34' ' ' VAL . 10.9 mt -68.2 136.04 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mm -108.08 -44.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -170.12 142.42 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 85' ' ' PHE . 55.8 t -114.14 128.75 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.86 33.06 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.25 31.04 35.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.823 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.2 mt-10 -131.46 91.73 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' GLU . 20.0 t-20 -35.45 122.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 62' ' ' GLU . 30.6 m -128.16 16.39 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -60.3 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.15 28.77 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.5 138.85 31.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -71.48 167.43 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.954 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -62.69 -47.07 85.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.443 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 5.3 mm-40 -60.51 -16.27 35.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.73 -37.53 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' VAL . 98.4 t -79.02 -57.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -34.96 -48.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 7.4 pt-20 -68.5 -46.61 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 31.8 mttp -55.05 -27.3 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -78.51 -61.92 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -54.76 -28.76 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 22.9 mttm -81.35 -49.38 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.7 m -35.11 -38.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.17 -137.37 9.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.24 -37.81 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.711 ' HG2' HG13 ' A' ' 15' ' ' VAL . 64.1 mtt180 -110.22 148.9 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.6 m -139.1 168.32 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.9 ttm -129.25 101.81 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.6 m-85 -95.05 132.06 40.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.3 tp -120.96 107.79 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.3 167.94 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 146.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -64.51 151.66 43.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 32.4 pttt -65.96 -53.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 12.2 mt-10 -48.24 -23.57 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -85.54 -61.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.14 124.95 21.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 96.56 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -46.89 137.18 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -75.73 124.11 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.3 t -48.26 135.19 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -115.16 -60.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -53.26 177.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -97.9 143.59 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -120.91 168.33 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.36 174.2 15.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.17 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -107.83 110.37 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.4 t -139.41 122.44 16.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.6 m -108.64 134.15 51.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 70.8 m -35.08 116.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.18 143.84 9.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -114.01 -50.28 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -41.55 138.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -179.98 -88.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.2 mt-30 -34.95 -60.1 0.57 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.78 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -111.18 119.81 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.668 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.8 OUTLIER -79.72 115.81 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.601 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -101.55 97.99 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.21 98.63 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.002 HD13 HG12 ' A' ' 44' ' ' VAL . 1.5 mm? -84.59 144.96 28.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 t -138.38 118.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -47.62 105.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -106.89 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.32 119.04 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.43 -107.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -101.41 149.82 23.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -47.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.55 41.47 2.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 11.3 p90 -148.32 150.26 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.8 m -114.99 162.75 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 34' ' ' VAL . 63.1 mt -129.89 142.3 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' CD ' HG21 ' A' ' 37' ' ' THR . 17.4 ptmt -160.13 135.55 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -103.72 129.64 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 30' ' ' GLY . 46.7 t -92.44 137.47 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -50.68 -39.44 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -91.79 29.9 7.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -151.02 139.13 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -95.32 119.38 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.62 -161.94 16.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 25' ' ' LEU . 1.9 p -130.02 162.38 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.9 p90 -156.48 148.35 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASP . 22.5 mmt -60.54 127.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.9 t -117.47 -49.29 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 37' ' ' THR . 12.4 t70 -105.45 110.8 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.17 93.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.7 m -40.49 126.95 1.81 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 60.87 38.41 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.68 -175.13 16.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.554 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.002 HG12 HD13 ' A' ' 14' ' ' LEU . 87.8 t -51.73 -47.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.88 -69.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.5 tpp -43.77 -34.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -72.28 -39.42 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.7 68.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.68 2.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.681 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.3 p -112.82 129.91 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 51' ' ' LEU . 1.1 pt? -101.38 171.08 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.46 167.2 22.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' MET . 2.8 m-20 54.87 43.7 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 28.2 m-20 -104.22 104.56 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -51.62 103.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -54.79 131.0 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.45 -49.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -156.24 173.88 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 72' ' ' VAL . 86.8 t -141.29 112.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.625 ' ND2' HG12 ' A' ' 59' ' ' VAL . 51.1 m-20 68.51 30.33 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.04 46.56 7.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.864 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.2 tp10 -150.6 116.66 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -51.69 113.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.8 m -126.91 25.91 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.56 -44.31 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.8 -4.64 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -70.89 148.63 47.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 m -83.56 162.4 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 73' ' ' VAL . 16.7 t-160 -52.04 -43.63 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.57 -38.58 75.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.03 -40.38 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.866 HG13 HG21 ' A' ' 59' ' ' VAL . 84.0 t -72.44 -62.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 12.1 p -41.44 -44.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.4 mt-10 -68.5 -33.15 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.5 mttp -73.7 -21.85 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HG11 ' A' ' 83' ' ' VAL . 67.0 t -82.35 -67.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -47.45 -38.96 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.73 -34.38 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -40.31 -37.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.03 -95.85 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -124.08 -44.62 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -109.2 156.76 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG12 ' OD1' ' A' ' 60' ' ' ASN . 2.7 m -143.7 171.19 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.668 ' HG3' HD11 ' A' ' 11' ' ' LEU . 20.6 ttm -131.53 109.17 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 71.3 m-85 -105.48 125.01 50.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.4 116.32 28.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -140.1 175.15 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 9' ' ' PRO . 5.3 t -122.55 157.92 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.55 163.46 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -83.92 -36.8 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.8 -38.22 84.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 26.3 m -71.61 -61.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' THR . 4.4 t0 -35.92 -61.23 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -98.91 109.5 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 97' ' ' VAL . 8.4 mpt_? -70.38 120.4 15.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -67.3 87.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 95' ' ' ARG . 3.5 m -131.27 137.85 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -142.43 143.07 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -115.75 101.12 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -55.93 120.23 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.5 t -143.12 148.76 37.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.18 132.16 11.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' SER . 54.0 Cg_endo -69.7 1.79 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' PRO . 3.4 t -35.86 121.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.7 p -138.18 112.71 8.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -85.93 48.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -59.64 169.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.62 -145.04 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 m -93.03 40.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -133.29 148.84 51.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.98 -53.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.8 mt-30 -60.0 -60.18 11.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.73 177.33 5.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -107.19 146.61 31.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -95.87 113.33 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.9 m -103.17 97.97 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -89.08 111.59 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.966 HD13 HG12 ' A' ' 44' ' ' VAL . 1.7 mm? -95.13 137.57 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.734 HG13 ' CG ' ' A' ' 82' ' ' ARG . 22.0 t -128.62 118.72 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -45.29 105.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.56 -59.55 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 120.45 3.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.47 -98.6 0.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 6.7 m -119.81 -62.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 20' ' ' SER . 20.9 m-85 -167.69 -177.94 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.27 35.61 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 51.1 p90 -148.53 156.17 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -125.83 150.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 20.5 mt -117.02 147.39 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 142.13 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.2 p -97.74 138.43 35.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.39 125.75 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.11 141.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.91 -45.92 3.6 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -71.6 145.31 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -89.81 154.5 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.07 -144.37 3.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.67 174.58 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 p90 -157.03 146.09 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 17.6 mmt -60.56 126.7 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.6 t -116.88 -42.49 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 37' ' ' THR . 3.3 t70 -109.62 112.41 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 46' ' ' MET . 39.1 mm -103.48 90.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' ILE . 84.2 m -34.33 131.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.75 127.15 14.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 49.53 36.09 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.37 -140.29 11.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.966 HG12 HD13 ' A' ' 14' ' ' LEU . 98.4 t -85.8 -52.83 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.721 ' HB1' HG11 ' A' ' 50' ' ' VAL . . . -63.38 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.677 ' HB2' HG22 ' A' ' 39' ' ' ILE . 12.7 ttm -40.95 -37.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.9 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.22 -19.43 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.44 29.94 7.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.721 HG11 ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -100.04 131.26 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.5 mt -93.99 162.27 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.6 170.53 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER 47.57 26.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 87' ' ' LEU . 26.4 m-20 -85.6 103.33 14.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 4.1 t-160 -49.68 113.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.729 HD12 HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.04 142.69 58.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.67 -51.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.0 pt-20 -161.69 168.56 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.89 127.28 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.835 HD22 ' HA ' ' A' ' 83' ' ' VAL . 31.4 m120 51.74 39.2 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 45.44 51.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.857 ' O ' HG13 ' A' ' 64' ' ' VAL . 38.2 mt-10 -142.84 109.86 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -50.34 115.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.857 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.2 m -126.98 11.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.75 -53.42 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -89.77 -16.67 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.05 137.43 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -71.21 165.59 23.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.7 t-160 -59.24 -44.39 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -59.2 -29.31 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' OE1' ' CA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -75.47 -37.1 60.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 84.0 t -76.78 -60.11 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.8 p -33.82 -54.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.585 ' N ' HG13 ' A' ' 73' ' ' VAL . 16.5 pt-20 -64.16 -43.68 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.8 mttp -56.43 -33.28 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.38 -62.21 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.55 -34.53 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 40.6 mttt -68.34 -46.04 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.638 ' CB ' HG12 ' A' ' 83' ' ' VAL . 34.5 t -34.23 -41.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.61 -119.8 3.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -91.28 -53.48 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.734 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -109.53 159.56 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.835 ' HA ' HD22 ' A' ' 60' ' ' ASN . 23.2 m -138.01 168.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.564 ' HG3' HD11 ' A' ' 11' ' ' LEU . 26.3 ttm -123.86 101.26 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 83' ' ' VAL . 53.4 m-85 -97.04 122.43 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.27 118.12 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -140.83 172.3 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 9' ' ' PRO . 3.3 t -118.79 155.77 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 159.77 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -79.34 -32.62 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.27 -48.08 58.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -59.1 -59.62 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.74 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -131.17 84.91 2.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -103.09 131.9 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -72.49 85.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 98' ' ' GLU . 45.4 t -103.08 156.27 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.8 pp20? -155.12 110.26 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' GLU . 24.3 pt20 -34.85 -40.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -174.82 154.94 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.8 m -69.98 112.42 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.45 146.2 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 118.62 5.79 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.692 2.262 . . . . 0.0 112.35 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.7 p -83.78 66.53 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.6 m 37.9 47.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -103.3 123.2 46.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -118.32 123.93 46.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.76 176.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -73.91 98.38 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -158.7 159.39 35.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.81 -73.69 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 21.7 mt-30 -55.09 -60.07 9.15 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.75 177.72 5.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.282 . . . . 0.0 112.332 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 mmm180 -106.59 140.44 39.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.8 tm? -96.08 116.3 28.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -102.25 98.23 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.82 104.15 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -93.68 144.06 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.0 t -142.32 118.66 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -48.94 118.65 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.16 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.26 137.62 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.73 -110.43 0.46 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 m -117.87 162.82 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -55.84 162.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.22 31.24 6.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 17.7 p90 -145.51 150.35 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 m -130.1 143.67 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 31.4 mt -106.36 157.67 17.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -162.81 151.25 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -103.23 126.25 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.02 149.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.41 100.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.76 -48.75 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 165.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -126.83 133.53 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.86 152.11 24.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 69' ' ' HIS . 69.1 t -98.26 145.84 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -153.59 144.53 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 14.8 mmt -59.1 132.49 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 38' ' ' ASP . 15.1 t -116.52 -41.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.09 114.39 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mm -110.35 87.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -41.27 129.59 2.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.12 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 56.1 39.18 30.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.83 179.29 16.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 14' ' ' LEU . 77.6 t -48.8 -30.13 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.99 -68.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpp -46.87 -24.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -36.1 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.93 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.5 40.91 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 87' ' ' LEU . 7.2 p -112.57 125.75 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.645 HD13 ' NZ ' ' A' ' 90' ' ' LYS . 61.1 mt -91.85 159.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 164.01 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.4 m-20 55.86 25.39 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.11 114.61 25.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -55.81 112.95 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -67.04 105.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.45 -54.18 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.89 ' HA ' HG22 ' A' ' 64' ' ' VAL . 6.4 pt-20 -155.2 172.7 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.659 HG12 ' ND2' ' A' ' 60' ' ' ASN . 96.4 t -138.15 106.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.659 ' ND2' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER 69.44 36.9 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 36.93 45.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.5 mt-10 -133.68 103.82 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -50.37 107.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 58' ' ' GLU . 35.0 m -121.78 13.62 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' VAL . 23.3 mt-10 -38.47 -47.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -112.05 43.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -100.73 163.09 12.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.2 t -94.75 155.7 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 34' ' ' VAL . 4.6 t-160 -50.4 -35.14 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.18 -29.0 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.68 -33.02 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 59' ' ' VAL . 71.2 t -83.47 -55.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.1 p -41.52 -36.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.6 -44.52 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 23.7 mttp -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 59' ' ' VAL . 63.4 t -86.05 -48.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -66.78 -48.45 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.9 mtmt -59.49 -43.3 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.0 t -35.15 -42.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.26 -114.25 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -100.68 -49.6 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -109.09 160.58 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 HG13 ' A' ' 76' ' ' VAL . 2.6 m -140.95 165.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.591 ' CG ' HD21 ' A' ' 11' ' ' LEU . 25.2 ttm -119.67 107.65 13.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 63.1 m-85 -101.63 127.88 48.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.1 tp -119.26 114.0 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -132.95 172.39 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.12 148.74 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.13 119.21 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.645 ' NZ ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.21 -24.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -69.03 -37.69 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.4 m -78.83 -56.0 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' C ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -69.04 134.75 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -67.71 124.8 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -85.01 140.38 31.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -86.72 89.17 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.7 m -54.83 129.86 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -129.08 -38.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -89.05 142.88 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -92.53 177.33 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -117.46 113.91 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.2 124.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.25 66.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 t -120.58 -57.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -59.22 107.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 m -64.76 114.64 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -160.39 146.69 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 76.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -105.13 106.9 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -106.63 148.45 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.11 -51.3 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.69 154.21 78.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.21 22.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -101.24 129.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -84.76 103.28 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.36 99.58 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -82.54 99.37 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.779 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -87.41 141.87 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 82' ' ' ARG . 23.2 t -140.46 135.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -60.24 119.8 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -126.85 -44.9 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -124.83 176.23 17.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -36.7 -48.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -128.33 138.14 52.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -44.05 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.63 35.46 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 10.2 p90 -158.03 153.03 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 m -124.35 159.25 30.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.12 126.9 42.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HD3' HG21 ' A' ' 37' ' ' THR . 30.2 pttt -127.02 153.8 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.562 HG22 HG12 ' A' ' 34' ' ' VAL . 48.9 p -100.24 147.34 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.1 135.59 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -55.19 142.24 32.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.21 -47.4 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -58.47 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -122.79 156.26 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.72 -134.25 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 27' ' ' THR . 17.0 m -138.54 -179.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -157.0 160.04 38.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 87' ' ' LEU . 17.9 mmt -64.23 128.04 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.701 HG21 ' HD3' ' A' ' 26' ' ' LYS . 1.3 t -142.47 161.97 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 49.59 44.22 24.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 52' ' ' ALA . 24.4 mm -51.56 118.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -66.78 121.21 76.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.38 13.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 71.22 50.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.84 -173.63 12.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.779 HG12 HD13 ' A' ' 14' ' ' LEU . 61.3 t -54.86 -36.09 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -73.08 -70.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 tpp -44.79 -26.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -83.52 -38.51 21.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.7 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 31.06 5.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.653 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.7 p -101.35 125.74 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.9 mt -94.02 144.93 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 39' ' ' ILE . . . -64.53 164.13 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.33 33.36 22.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 1.2 m-20 -98.31 109.61 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -54.44 110.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.697 HD12 HD21 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -58.26 132.85 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.97 -50.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -159.83 176.3 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -143.0 124.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.611 HD22 ' HA ' ' A' ' 83' ' ' VAL . 8.5 m120 52.3 32.52 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.96 35.13 22.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 64' ' ' VAL . 50.3 mt-10 -131.41 109.36 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -58.75 109.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.7 m -125.91 17.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -39.59 -42.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -121.69 48.3 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.56 144.25 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.1 m -62.1 149.61 40.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' O ' HG12 ' A' ' 73' ' ' VAL . 17.2 t-160 -56.56 -24.58 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.807 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 42.4 mm-40 -84.63 -22.44 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.26 -38.49 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.8 -57.33 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.3 p -38.16 -48.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 15.0 pt-20 -69.55 -44.53 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 25.5 mttm -55.73 -38.06 69.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.05 -45.95 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -63.96 -53.19 54.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.3 mttm -48.64 -40.74 28.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.602 ' CB ' HG12 ' A' ' 83' ' ' VAL . 48.1 t -33.87 -48.0 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 -107.72 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 m -99.25 -50.8 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.604 ' HB3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -114.13 164.81 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.611 ' HA ' HD22 ' A' ' 60' ' ' ASN . 5.6 m -140.86 167.75 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.851 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.3 ttm -126.43 113.05 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -107.08 132.4 53.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 111.31 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.85 176.49 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -110.0 152.51 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.5 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -23.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.1 -46.27 82.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 91.5 m -92.24 -45.32 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' THR . 42.8 t0 -34.8 -60.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -90.3 93.98 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -101.68 87.8 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 5.8 p80 -90.96 109.7 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.5 m -89.8 174.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 63.72 46.05 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 157.21 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -65.38 105.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -85.5 135.63 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -164.62 73.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -39.23 6.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -139.3 109.31 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -110.91 135.14 51.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -106.27 137.22 44.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -91.77 152.27 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.38 146.26 18.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -79.93 139.56 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -164.77 151.75 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.13 83.61 0.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 6.2 pm0 -64.7 154.13 85.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.74 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -114.7 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 84' ' ' MET . 1.6 tm? -84.19 113.81 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.541 ' N ' HD13 ' A' ' 11' ' ' LEU . 14.5 m -100.59 100.31 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -87.08 103.57 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -89.81 136.1 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 82' ' ' ARG . 92.3 t -129.24 132.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -59.17 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -103.06 -37.41 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -131.82 175.09 19.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.51 -48.94 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -125.33 137.09 54.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -42.32 -64.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.33 30.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -151.01 151.11 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -122.83 144.44 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.88 142.37 46.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 10.6 ptmt -146.19 152.08 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -104.36 145.63 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.92 132.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -64.84 106.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.38 -47.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -76.38 179.14 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -112.47 156.11 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.27 -144.15 3.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.73 171.44 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 3.8 p90 -157.02 147.93 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.8 mmt -61.73 134.36 56.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.0 t -122.21 -40.63 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 37' ' ' THR . 8.4 t0 -116.21 116.24 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.43 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.0 m -45.17 126.39 5.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.22 32.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 58.36 51.03 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.33 -160.94 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.757 HG12 HD13 ' A' ' 14' ' ' LEU . 87.2 t -67.05 -42.26 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.11 -63.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.2 tpp -49.44 -22.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -88.13 -33.48 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.86 -22.37 63.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.62 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.652 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.5 p -106.09 138.53 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -113.58 170.92 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -75.33 165.61 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.3 m-20 51.89 50.61 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 16.6 m-20 -114.54 106.73 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.59 100.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -55.66 130.76 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -96.69 -51.22 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.5 pt-20 -157.21 169.32 25.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' HD21 ' A' ' 56' ' ' LEU . 49.2 t -137.77 110.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.44 29.78 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.55 41.92 9.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.7 tt0 -143.49 115.65 8.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.8 109.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 58' ' ' GLU . 23.0 m -118.53 19.72 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -49.82 -40.0 40.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -122.21 41.67 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.07 136.59 43.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -61.61 143.81 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.477 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.3 t-160 -44.45 -40.79 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.0 -34.52 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.53 -43.28 81.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' LYS . 99.2 t -74.12 -61.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.2 p -38.9 -38.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -73.94 -43.2 59.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.1 mttp -61.65 -21.94 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.21 -57.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -62.08 -30.76 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 79' ' ' SER . 24.3 mttm -73.17 -43.47 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 78' ' ' LYS . 3.7 t -34.01 -43.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 -101.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.4 m -117.03 -44.43 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' HG13 ' A' ' 15' ' ' VAL . 25.7 mtt180 -109.0 155.64 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 14' ' ' LEU . 8.5 m -140.91 170.09 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.693 ' CG ' HD21 ' A' ' 11' ' ' LEU . 22.3 ttm -130.8 105.49 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.4 m-85 -99.49 128.49 45.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -120.81 114.77 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -133.86 175.67 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.09 146.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.2 125.78 25.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 24.1 pttm -42.33 -44.7 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 15.3 mt-10 -62.77 -48.28 79.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.1 m -57.01 -48.78 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -50.56 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -88.14 79.38 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -101.03 97.44 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -157.84 140.66 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.11 107.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -149.3 135.38 19.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -171.56 139.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -69.11 156.47 38.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.8 p -117.61 141.09 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.13 127.63 3.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.36 24.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' SER . 94.1 p -110.61 -43.64 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.1 t 34.36 43.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -75.86 116.59 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -83.37 88.9 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.47 -84.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -71.6 178.78 3.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t -106.44 116.07 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.83 -44.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 3.8 mt-30 -81.06 155.86 72.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 54.1 Cg_endo -69.73 177.79 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -112.36 129.74 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -81.78 105.45 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.54 100.02 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.9 98.66 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -84.52 136.49 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 82' ' ' ARG . 47.0 t -140.97 104.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.8 ptpt -42.63 142.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.46 -73.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.81 117.98 4.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.01 -68.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 p -149.71 -176.52 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 3.7 m-85 -66.88 -174.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.48 44.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.501 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.4 p90 -157.44 160.26 38.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -130.94 147.26 52.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -112.41 159.76 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -159.62 154.78 25.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 72.0 p -111.62 129.93 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.22 138.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.53 124.8 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.49 -49.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.38 150.17 47.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -102.55 151.36 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.47 -164.25 52.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.69 168.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 4.0 p90 -156.54 150.83 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.58 132.58 52.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.594 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.8 t -120.13 -50.67 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.594 ' N ' HG23 ' A' ' 37' ' ' THR . 10.5 t70 -105.14 109.7 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 48.6 mm -102.99 84.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 41' ' ' PRO . 29.8 m -34.17 137.26 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.567 0.698 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.78 138.09 36.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 46.27 44.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.21 -175.0 16.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 14' ' ' LEU . 84.1 t -49.2 -43.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -71.3 -65.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 tpp -45.68 -26.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -80.6 -36.71 32.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.16 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.4 7.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.515 HG23 HD13 ' A' ' 87' ' ' LEU . 5.8 p -96.39 124.95 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.78 162.4 18.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.62 162.08 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.7 25.23 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.12 112.9 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -57.97 109.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 HD21 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -62.45 121.03 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 86' ' ' LEU . 37.7 mm -83.38 -55.76 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.775 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.7 pt-20 -154.39 171.46 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 HG21 ' A' ' 64' ' ' VAL . 48.9 t -138.01 123.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' OD1' HG12 ' A' ' 83' ' ' VAL . 1.6 m-20 56.41 28.37 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.3 31.96 29.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.4 mt-10 -129.83 102.22 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -47.33 105.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 58' ' ' GLU . 17.0 m -117.64 10.78 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' VAL . 21.0 mt-10 -34.38 -44.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -126.19 47.17 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.71 133.47 46.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -50.45 151.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.735 ' O ' HG12 ' A' ' 73' ' ' VAL . 7.9 t-160 -58.42 -34.36 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.2 -22.12 55.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -79.81 -31.99 40.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' LYS . 86.4 t -85.86 -61.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.4 p -35.37 -46.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.7 pt-20 -67.97 -42.67 80.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 46.5 mttt -54.99 -44.73 74.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 83' ' ' VAL . 67.4 t -61.63 -55.22 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -48.02 -50.95 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.4 mmtt -51.02 -53.05 36.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.1 t -33.02 -47.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.8 -106.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -115.54 -15.59 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.2 ptp180 -133.1 155.12 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 ' OD1' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.99 163.28 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.784 ' HG3' HD11 ' A' ' 11' ' ' LEU . 23.9 ttm -110.85 106.96 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 83' ' ' VAL . 66.2 m-85 -102.44 141.8 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 57' ' ' ILE . 7.1 tp -130.92 113.75 14.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.575 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.92 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -117.32 150.21 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 92' ' ' THR . 10.0 m-20 -63.2 116.9 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 8.4 ptmt -40.22 -34.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 32.2 mp0 -58.74 -43.91 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' ASP . 90.0 m -77.87 -47.36 18.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.59 -61.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -133.88 162.37 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -76.08 157.88 32.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -113.03 108.65 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.88 123.54 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -117.18 96.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -119.98 127.11 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -101.86 112.09 24.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 m -80.97 -59.89 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.91 86.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.76 -7.92 22.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' PRO . 80.7 p -36.43 108.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.5 m -61.52 102.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.1 t -90.77 89.89 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 61.1 m -34.77 123.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.16 -95.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -115.18 155.81 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -88.48 21.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.69 -99.1 0.77 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 18.4 mm-40 -74.14 -61.42 1.25 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.79 -170.6 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -124.3 120.5 32.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.685 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.7 OUTLIER -75.09 113.36 12.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.514 ' N ' HD13 ' A' ' 11' ' ' LEU . 63.7 m -99.89 97.91 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.55 101.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.716 HD13 HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -85.56 130.18 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.608 HG13 ' HG2' ' A' ' 82' ' ' ARG . 77.3 t -132.62 103.56 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.635 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.5 ptmm? -49.34 117.84 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 15.3 pt-20 -92.35 -51.61 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.34 132.12 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.95 -88.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t -112.9 175.69 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 8.3 m-85 -68.89 -175.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.71 43.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 9.7 p90 -163.96 166.5 21.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 37' ' ' THR . 3.0 m -135.63 143.45 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 21.5 mt -99.63 161.78 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -162.93 158.48 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -112.87 148.43 34.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' OH ' ' A' ' 35' ' ' TYR . 11.8 t -138.19 145.17 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -79.26 78.28 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 155.71 -35.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.74 163.96 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.4 mtmt -89.15 116.23 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.46 -134.61 52.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG23 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -117.65 173.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 28' ' ' VAL . 2.0 p90 -157.92 176.63 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.602 ' HB3' HD11 ' A' ' 39' ' ' ILE . 17.5 mmt -76.23 141.13 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CD ' ' A' ' 26' ' ' LYS . 14.7 t -157.0 154.05 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 57.32 34.03 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.602 HD11 ' HB3' ' A' ' 36' ' ' MET . 48.2 mm -42.02 123.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.6 m -77.7 130.56 73.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.29 29.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 59.16 42.99 17.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.04 -171.68 13.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.716 HG12 HD13 ' A' ' 14' ' ' LEU . 98.0 t -54.16 -71.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.864 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -43.32 -63.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 tpt -49.07 -22.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -92.05 -32.7 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -24.22 64.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.12 21.36 7.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.864 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 10.9 p -96.46 142.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.191 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.6 pp -120.38 160.73 22.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -59.39 165.47 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 54.85 41.75 31.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.714 ' HB3' HD22 ' A' ' 87' ' ' LEU . 16.7 m-20 -103.65 100.12 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.448 ' NE2' ' HB2' ' A' ' 32' ' ' LYS . 11.2 t-160 -59.72 124.51 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 64' ' ' VAL . 10.7 mt -69.25 124.66 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.4 mm -98.22 -34.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -175.8 167.34 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.7 t -136.29 135.66 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.0 m-20 36.94 30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . 90.12 36.72 7.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.4 mp0 -141.43 107.16 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.92 121.16 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 56' ' ' LEU . 18.6 m -122.72 15.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.85 -59.12 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 25.5 t0 -108.89 40.04 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.5 142.18 31.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -66.03 153.18 42.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.527 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.1 t-160 -52.63 -40.42 62.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 36.0 mt-10 -68.57 -35.6 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -65.06 -40.55 94.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . 61.0 t -76.91 -62.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 74' ' ' GLU . 9.4 p -35.81 -47.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.538 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.6 mt-10 -61.44 -45.72 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' VAL . 28.2 mttp -55.14 -42.85 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 83' ' ' VAL . 84.4 t -73.84 -53.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 73' ' ' VAL . 25.1 mtpp -47.32 -46.64 25.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' SER . 36.1 mtmt -69.66 -45.88 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.447 ' CB ' HG12 ' A' ' 83' ' ' VAL . 5.0 t -34.76 -41.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.67 -127.71 5.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -100.41 -22.45 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.608 ' HG2' HG13 ' A' ' 15' ' ' VAL . 30.0 mtt180 -122.48 148.81 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 76' ' ' VAL . 3.1 m -146.74 171.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.685 ' HG3' HD11 ' A' ' 11' ' ' LEU . 31.5 ttm -122.91 109.1 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -105.57 128.92 53.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 tp -112.1 103.71 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 54' ' ' ASP . 2.0 mt -116.31 167.56 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.51 150.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.88 145.92 54.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -67.09 -39.43 86.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -50.17 -34.94 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -86.53 -62.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -46.72 134.0 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -132.16 132.54 43.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -81.06 174.81 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -96.13 120.62 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.6 t -128.22 145.98 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -115.36 124.53 51.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -112.83 114.37 26.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 101' ' ' SER . 3.3 tmtm? -141.91 132.35 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.459 ' N ' ' HD3' ' A' ' 100' ' ' LYS . 4.5 m -46.12 127.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.58 147.56 5.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 109.38 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m -159.62 137.5 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 m -94.69 170.69 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m -160.65 139.05 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.926 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -171.17 144.82 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.1 111.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -148.46 151.79 35.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -115.6 114.86 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.62 -55.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 mp0 -54.75 -60.18 8.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.5 Cg_endo -69.65 175.39 8.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.27 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -108.7 129.06 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.804 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -89.19 116.16 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -103.03 98.2 8.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.07 105.83 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -89.06 150.22 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.67 129.9 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -52.89 117.73 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.8 tt0 -120.64 -60.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -122.34 176.45 16.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.28 -46.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -122.45 129.24 51.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -39.96 -69.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.39 33.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -155.56 149.82 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -101.49 144.91 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 mt -121.96 127.65 50.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -151.84 139.95 20.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.6 p -98.43 163.91 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.476 ' HB ' ' CG ' ' A' ' 31' ' ' LYS . 3.9 t -128.42 149.09 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' C ' ' CD ' ' A' ' 29' ' ' GLN . 7.5 tm0? -69.3 -28.77 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -113.52 48.93 0.89 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 28' ' ' VAL . 54.0 mmtt -152.04 174.93 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -118.58 121.72 40.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.95 175.58 15.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.09 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.626 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.9 p90 -156.74 160.18 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -70.83 137.04 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 38' ' ' ASP . 5.3 t -117.14 -45.48 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 37' ' ' THR . 32.5 t70 -122.63 115.74 22.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -98.81 119.45 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 m -67.72 132.82 92.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.13 27.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.05 42.75 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.3 176.6 16.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.842 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -47.18 -52.58 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -57.6 -61.76 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.9 tpp -53.55 -25.28 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -85.92 -33.09 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.29 65.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 39.93 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.3 p -111.67 124.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.17 165.98 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 177.75 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 43.64 38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -110.23 118.12 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -66.28 131.29 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' A' ' 35' ' ' TYR . 5.0 mp -76.12 117.2 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 mm -83.61 -31.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' CD ' ' C ' ' A' ' 58' ' ' GLU . 1.6 pp20? -175.44 158.53 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.85 130.66 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.22 38.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.06 45.51 8.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -146.36 114.8 6.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.68 115.43 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.03 4.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -41.11 -41.53 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -115.52 44.66 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 144.05 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -80.01 151.21 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 73' ' ' VAL . 15.7 t-160 -39.13 -56.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.5 pt-20 -43.53 -42.56 5.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 56.9 mm-40 -67.81 -33.4 74.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' VAL . 76.0 t -78.88 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 74' ' ' GLU . 2.9 p -33.95 -48.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.9 pt-20 -68.37 -46.91 68.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 30.3 mttp -59.33 -14.16 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG13 HG11 ' A' ' 83' ' ' VAL . 74.7 t -93.28 -59.7 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.8 pttt -60.0 -34.75 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 79' ' ' SER . 41.0 mtmt -70.03 -45.6 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.9 t -35.12 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 -123.22 3.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.2 m -104.16 -27.63 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -118.29 147.0 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.764 HG23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 m -134.77 163.19 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 11' ' ' LEU . 11.3 ttm -131.93 108.77 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -101.68 131.06 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . 13.9 tp -116.65 110.22 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.438 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -126.81 173.43 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.77 150.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.88 146.98 51.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -69.18 -30.53 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.99 -39.04 93.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' ASP . 98.6 m -71.86 -52.36 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' THR . 36.2 t70 -34.58 128.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -96.69 75.55 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.485 ' HG2' HG22 ' A' ' 97' ' ' VAL . 29.0 ttp85 -75.13 91.08 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -94.68 81.35 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.485 HG22 ' HG2' ' A' ' 95' ' ' ARG . 16.9 m -141.92 153.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -161.89 120.63 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -59.78 150.33 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 132.53 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.5 t -53.7 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.79 92.96 0.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.67 7.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -155.99 110.19 2.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 p -83.26 134.53 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -123.42 148.71 45.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -52.92 106.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.16 159.3 31.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p -83.07 149.63 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -80.2 147.17 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.34 40.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -68.59 154.04 95.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -179.56 3.01 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.662 2.242 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -113.64 133.26 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' CG ' ' A' ' 84' ' ' MET . 3.0 tm? -92.09 116.24 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.7 m -103.28 97.97 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -82.33 102.55 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 44' ' ' VAL . 2.2 mm? -87.11 145.36 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 82' ' ' ARG . 57.9 t -140.45 127.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -56.59 100.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -94.7 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.57 117.73 2.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.68 -102.26 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -103.88 145.21 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -46.64 173.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.47 39.32 2.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -144.91 150.55 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.4 m -113.98 138.61 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 34' ' ' VAL . 70.1 mt -112.14 138.67 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -157.32 140.27 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 p -103.04 155.09 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 30' ' ' GLY . 62.1 t -116.92 137.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -56.36 -40.5 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.566 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -88.78 30.2 5.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -151.5 172.81 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -127.6 120.12 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.27 174.07 27.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 25' ' ' LEU . 4.6 p -109.36 159.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.0 p90 -155.3 164.35 38.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.84 135.76 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -121.06 -37.99 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -126.39 115.48 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 45' ' ' ALA . 40.1 mm -107.26 90.12 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.8 m -41.39 130.91 2.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.07 44.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.73 2.287 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 54.93 48.24 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.12 -143.0 6.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.795 HG12 HD13 ' A' ' 14' ' ' LEU . 96.0 t -87.43 -48.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.089 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.627 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.39 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 tpp -51.37 -19.38 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -86.89 -31.39 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 13.51 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 43.92 95.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.7 p -113.54 110.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD11 ' OD1' ' A' ' 54' ' ' ASP . 4.2 pp -85.07 164.01 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -78.78 169.85 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 62.81 40.45 9.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.655 ' OD1' HD11 ' A' ' 51' ' ' LEU . 60.6 m-20 -117.32 116.21 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.12 120.53 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.7 mp -63.99 133.15 52.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.77 -27.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.1 pt-20 -175.57 142.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.904 HG23 HG21 ' A' ' 64' ' ' VAL . 78.1 t -112.44 120.47 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.72 31.2 18.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.81 22.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.551 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.9 tp10 -141.36 112.6 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.52 114.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.919 HG22 ' HA ' ' A' ' 58' ' ' GLU . 12.5 m -126.51 13.69 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.03 -43.9 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.68 35.74 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.59 145.24 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.0 m -81.92 147.31 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.657 ' O ' HG12 ' A' ' 73' ' ' VAL . 12.2 t-80 -46.18 -38.63 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -67.41 -30.27 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.79 -30.92 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.612 HG13 HG21 ' A' ' 59' ' ' VAL . 92.2 t -83.13 -58.26 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.7 p -37.57 -53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 73' ' ' VAL . 10.9 pt-20 -61.11 -44.97 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 8.0 mtpm? -57.92 -33.06 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG13 HG11 ' A' ' 83' ' ' VAL . 83.8 t -68.85 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.2 pttt -54.57 -34.91 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 6.5 mtmp? -73.69 -45.01 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -43.6 -22.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . 122.73 -121.76 4.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -111.45 -33.32 6.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.53 149.34 29.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.646 HG11 HG13 ' A' ' 76' ' ' VAL . 16.7 m -137.26 168.96 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.926 ' CG ' HD21 ' A' ' 11' ' ' LEU . 17.0 ttm -129.97 101.18 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 83' ' ' VAL . 69.0 m-85 -95.83 123.83 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 tp -112.04 110.92 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.57 HD22 ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -126.16 175.62 7.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 89' ' ' ASP . 45.9 t -111.9 154.48 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' N ' HG12 ' A' ' 88' ' ' VAL . 75.3 m-20 -65.02 125.88 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -49.07 -35.88 17.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.81 -34.62 77.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.0 m -79.45 -56.16 4.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.38 -52.53 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.05 132.43 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -123.69 82.83 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -144.04 121.37 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.6 133.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -133.6 166.63 22.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 42.43 28.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 165.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -141.94 149.22 39.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.48 -168.88 18.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -40.17 5.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.394 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 74.0 m -40.86 136.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 p -143.28 151.27 40.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 -58.05 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -85.21 179.83 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.16 74.5 0.39 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -141.5 140.57 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -147.99 165.28 31.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.16 -62.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.6 mt-30 -82.58 155.81 68.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.76 -171.37 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.8 ptp180 -114.2 145.0 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.2 tm? -106.03 103.38 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 m -92.9 97.9 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.19 99.29 8.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.819 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -85.0 143.3 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.869 HG13 ' HB3' ' A' ' 82' ' ' ARG . 12.8 t -141.47 115.2 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -44.18 106.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 26.1 mt-10 -110.55 -41.07 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -118.08 174.91 15.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.95 -32.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' GLY . 60.1 p -159.66 152.06 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 78.5 m-85 -51.35 172.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.21 32.71 7.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 49.9 p90 -139.99 152.97 46.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 37' ' ' THR . 2.9 m -121.07 144.05 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 19.0 mt -108.22 146.02 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.599 ' CD ' HG21 ' A' ' 37' ' ' THR . 4.1 ptmt -149.53 158.53 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 p -112.83 150.26 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -126.93 128.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -60.96 121.14 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.34 -48.6 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -60.8 -179.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -117.11 143.86 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.03 -146.32 14.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.46 -177.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 2.4 p90 -157.06 166.54 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.702 ' HB3' HD11 ' A' ' 39' ' ' ILE . 20.1 mmt -71.75 142.89 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CD ' ' A' ' 26' ' ' LYS . 15.3 t -151.79 163.01 40.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t0 43.79 43.77 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.702 HD11 ' HB3' ' A' ' 36' ' ' MET . 40.2 mm -53.1 116.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.3 m -59.62 136.98 89.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.83 137.74 35.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 46.01 53.73 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.5 177.13 17.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD13 ' A' ' 14' ' ' LEU . 46.1 t -46.97 -31.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -78.65 -63.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 tpp -55.94 -19.46 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -84.58 -34.32 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.16 -14.59 62.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.15 9.5 44.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 45' ' ' ALA . 1.6 p -86.98 137.78 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 51' ' ' LEU . 3.4 pp -118.65 139.91 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.77 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 63.06 55.07 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' HD22 ' A' ' 87' ' ' LEU . 8.7 m-20 -124.58 107.39 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -53.49 108.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD23 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -59.52 127.01 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -94.99 -53.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.1 pt-20 -155.43 171.36 20.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG22 ' HD1' ' A' ' 85' ' ' PHE . 50.2 t -136.24 115.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 83' ' ' VAL . 3.3 m120 63.95 25.35 13.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.08 34.07 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.4 tp10 -134.85 118.87 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.93 106.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG21 HD23 ' A' ' 56' ' ' LEU . 16.1 m -112.43 6.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.66 -38.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -119.14 45.14 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -114.5 133.75 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -61.53 151.39 33.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.2 t-160 -52.66 -43.72 65.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.99 -24.35 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.16 -28.25 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.39 -54.63 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.4 p -42.4 -54.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.554 ' H ' HG13 ' A' ' 73' ' ' VAL . 15.2 pt-20 -56.39 -42.13 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.7 mtpm? -63.13 -27.85 69.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.79 -62.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 22.0 pttt -53.69 -39.97 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 31.6 mtmt -69.59 -37.59 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.47 ' CB ' HG12 ' A' ' 83' ' ' VAL . 4.5 p -33.93 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.49 -88.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -128.43 -48.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.869 ' HB3' HG13 ' A' ' 15' ' ' VAL . 8.5 ptm180 -118.92 153.51 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 27.4 m -136.82 173.12 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.771 ' SD ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -124.24 110.78 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 25.7 m-85 -104.91 117.01 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 17.5 tp -104.75 117.56 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -133.12 177.14 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 89' ' ' ASP . 26.0 t -121.75 155.51 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.1 m-20 -67.9 126.54 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 5.1 ptmt -50.14 -29.85 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 70.3 mt-10 -72.64 -44.13 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.0 m -64.1 -53.65 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.02 118.08 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -103.0 150.75 23.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -73.56 -66.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t60 69.44 52.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 97' ' ' VAL . 4.2 m -138.08 123.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -146.73 163.68 35.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -111.11 152.5 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -86.8 103.7 15.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t -93.74 173.58 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.08 151.33 22.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -4.67 14.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.8 m 55.0 44.09 28.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.2 t -126.39 127.9 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -133.83 118.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -107.95 -59.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.48 -101.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -170.88 125.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -68.2 178.05 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.8 -82.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 5.4 mm100 -47.25 -60.02 4.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.538 0.685 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.4 Cg_endo -69.75 151.3 69.07 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.43 150.77 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -95.37 103.07 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.3 m -89.18 99.2 12.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -87.41 119.37 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' HD2' ' A' ' 85' ' ' PHE . 3.8 mm? -97.04 148.44 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HG2' ' A' ' 82' ' ' ARG . 46.2 t -139.12 112.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -53.65 115.64 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -117.1 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -127.62 120.22 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.54 -103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -83.77 150.36 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -51.37 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.61 -46.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -70.33 170.61 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -131.77 141.33 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.81 134.93 54.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HD3' HG21 ' A' ' 37' ' ' THR . 8.4 pttp -150.48 129.0 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 34' ' ' VAL . 21.9 p -80.19 144.22 33.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.74 151.37 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLY . 27.1 pt20 -83.49 -46.53 12.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' GLN . . . -84.59 23.85 7.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -151.31 -175.36 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.75 148.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 HG22 ' A' ' 27' ' ' THR . 34.5 m -89.09 157.51 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.722 ' HA ' HD13 ' A' ' 56' ' ' LEU . 5.2 p90 -157.07 172.05 19.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -74.3 129.64 38.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.445 HG21 ' HD3' ' A' ' 26' ' ' LYS . 10.0 t -114.37 -43.1 3.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 37' ' ' THR . 25.3 t0 -120.38 115.12 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 ' HB2' ' A' ' 52' ' ' ALA . 51.4 mm -102.58 112.44 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -66.15 122.95 83.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.582 0.706 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 137.49 35.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.34 32.49 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.51 -152.25 11.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 14' ' ' LEU . 97.7 t -78.44 -43.84 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.75 -71.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.9 tpp -41.51 -31.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.7 -40.91 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.31 -16.71 62.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.0 27.04 11.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.417 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.28 133.03 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.91 150.35 39.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -57.88 153.96 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 73.65 44.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -128.65 104.44 7.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -56.63 125.59 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.1 mp -73.04 100.8 3.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mm -67.23 -34.63 70.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 64' ' ' VAL . 13.8 pt-20 -173.76 156.79 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 85' ' ' PHE . 50.8 t -130.01 137.42 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 48.48 27.51 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.24 59.97 2.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.86 114.99 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -52.81 113.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 58' ' ' GLU . 14.6 m -121.11 16.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -44.31 -47.12 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -118.84 47.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.06 163.66 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.5 p -94.07 150.14 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.588 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -45.97 -34.22 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . 43.0 mt-10 -69.09 -37.72 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.54 -38.55 87.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' LYS . 90.6 t -78.95 -63.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.6 p -36.62 -43.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 73' ' ' VAL . 13.2 mt-10 -63.54 -42.41 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mttp -64.48 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.25 -64.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -51.44 -41.73 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.7 mttt -64.31 -35.37 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.1 p -34.56 -43.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.8 -81.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.8 m -125.51 -43.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.657 ' HG2' HG22 ' A' ' 15' ' ' VAL . 46.7 mtm180 -118.62 154.75 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -131.44 170.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.781 ' HG3' HD11 ' A' ' 11' ' ' LEU . 33.1 ttm -134.23 100.84 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' HG22 ' A' ' 59' ' ' VAL . 97.3 m-85 -101.0 127.07 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 58' ' ' GLU . 18.3 tp -111.05 108.74 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -128.37 172.46 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 9' ' ' PRO . 57.9 t -113.22 155.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.69 128.15 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.6 pttt -51.61 -29.29 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 89' ' ' ASP . 2.8 pt-20 -66.75 -27.57 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.2 m -91.46 -22.13 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 94' ' ' LYS . 5.9 t0 -81.93 39.16 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.6 mtmm 33.51 45.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -78.83 89.63 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -53.23 135.46 38.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 97' ' ' VAL . 35.3 m -106.42 126.79 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.95 131.18 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -135.41 122.37 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.66 144.49 33.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 p -69.52 147.71 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -138.64 144.73 15.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.78 2.72 3.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' PRO . 8.3 t -34.53 99.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 m -110.98 44.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.537 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.781 0.242 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -104.17 133.98 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.703 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -86.02 115.71 23.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.8 m -102.03 97.83 8.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.64 105.27 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.818 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.78 143.49 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -135.51 111.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -41.38 129.12 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.8 -56.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.01 118.28 2.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.49 -92.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.4 t -116.18 155.39 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -50.21 176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.88 15.22 63.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -123.42 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -141.14 137.02 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.37 147.61 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 12.3 ptmt -152.07 146.38 25.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 64.7 p -97.15 126.28 42.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.627 HG21 ' OH ' ' A' ' 35' ' ' TYR . 22.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -104.41 160.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.627 ' OH ' HG21 ' A' ' 28' ' ' VAL . 9.6 p90 -156.85 172.34 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -80.06 133.31 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 13.8 t -119.98 -43.17 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.72 113.1 25.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.01 91.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 41' ' ' PRO . 99.1 m -47.42 138.84 8.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 150.68 68.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.208 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.9 pm0 34.41 43.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.57 -166.31 16.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.818 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -62.18 -38.41 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -62.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.3 tpp -49.53 -23.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -81.76 -38.33 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.44 -23.73 64.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 33.11 6.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.86 123.79 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.26 167.43 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.42 178.16 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 47.37 37.35 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 14.1 m-20 -108.68 111.58 23.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.84 125.89 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 34' ' ' VAL . 11.5 mt -66.63 137.34 56.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 ' OE1' ' A' ' 65' ' ' GLU . 20.2 mm -110.1 -36.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.2 pt-20 -173.84 145.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 HG21 ' A' ' 64' ' ' VAL . 96.2 t -117.84 131.19 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 47.51 29.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.06 22.39 42.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -126.71 104.25 7.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -45.33 121.63 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 56' ' ' LEU . 6.2 m -118.55 5.65 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' OE1' HD13 ' A' ' 57' ' ' ILE . 5.2 mm-40 -38.06 -55.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.43 38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 135.41 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -69.95 144.52 52.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.0 t-160 -41.27 -47.2 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 66.4 mm-40 -64.25 -41.12 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.25 -63.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.3 p -42.56 -32.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -81.02 -37.66 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mtpm? -70.32 -27.94 64.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.07 -49.12 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -66.01 -39.86 90.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 40.9 mtmt -71.92 -41.51 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 78' ' ' LYS . 2.1 m -36.22 -39.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.31 -116.35 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -110.11 -33.85 6.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -117.32 157.92 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 15.7 m -148.9 159.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.703 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.8 ttm -116.75 104.62 11.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.9 m-85 -98.3 130.04 44.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.6 tp -122.95 115.26 21.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -140.5 169.99 16.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.65 154.81 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.26 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -66.87 -31.16 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.774 0.239 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -108.69 129.01 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -84.23 113.91 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD13 ' A' ' 11' ' ' LEU . 16.1 m -100.07 97.93 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.1 100.33 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -83.48 150.37 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.8 t -143.94 122.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -53.77 117.09 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -121.69 -57.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.49 125.82 4.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 36.99 -111.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 t -86.41 145.27 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.446 ' HD1' HD12 ' A' ' 14' ' ' LEU . 23.1 m-85 -42.92 -73.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.965 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.74 -56.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 49.4 p90 -56.55 176.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 m -137.09 142.23 42.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 mt -112.99 132.24 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -145.13 144.32 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.3 p -100.29 136.13 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.15 163.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -155.49 148.21 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 13.6 mmt -59.65 128.63 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 38' ' ' ASP . 14.2 t -117.43 -41.54 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.446 ' N ' HG23 ' A' ' 37' ' ' THR . 5.3 t70 -116.51 116.08 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mm -108.04 89.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.7 m -37.86 127.52 0.97 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.504 0.668 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.67 36.07 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 55.72 38.18 29.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.99 -162.36 13.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD13 ' A' ' 14' ' ' LEU . 85.4 t -67.9 -43.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.65 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 tpp -47.27 -22.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -35.63 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.19 -12.81 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.43 33.94 15.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 HD13 ' A' ' 87' ' ' LEU . 6.7 p -103.53 129.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.45 169.53 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -83.78 178.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' MET . 91.6 m-20 39.86 28.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 52' ' ' ALA . 7.2 m-20 -91.69 110.62 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -51.67 113.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.703 HD23 ' CG2' ' A' ' 64' ' ' VAL . 1.1 tp -66.93 130.19 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD23 ' A' ' 86' ' ' LEU . 9.3 mm -94.38 -52.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 62' ' ' GLU . 11.7 pt-20 -153.58 177.51 10.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' CE1' ' A' ' 85' ' ' PHE . 48.0 t -142.81 130.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 22.2 p30 43.77 31.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.75 41.13 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mm-40 -145.47 112.16 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.69 114.35 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.703 ' CG2' HD23 ' A' ' 56' ' ' LEU . 34.3 m -118.55 10.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -37.69 -56.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.37 41.69 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.11 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -67.25 151.55 47.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.483 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.0 t-160 -49.77 -36.85 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.22 -29.61 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.45 -39.53 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.408 HG13 HG21 ' A' ' 59' ' ' VAL . 58.3 t -73.17 -54.95 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 69' ' ' HIS . 9.4 p -47.18 -32.81 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.87 -32.43 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 27.5 mttp -71.83 -31.38 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 59' ' ' VAL . 97.7 t -73.53 -45.7 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -65.99 -52.84 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -56.37 -43.67 79.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 83' ' ' VAL . 8.5 t -34.26 -44.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.29 -109.38 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.6 m -110.97 -42.24 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -109.29 147.98 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 14' ' ' LEU . 15.6 m -135.37 169.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 11' ' ' LEU . 30.1 ttm -127.76 107.5 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 59' ' ' VAL . 68.3 m-85 -102.53 125.0 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.555 HD23 ' CG2' ' A' ' 57' ' ' ILE . 5.9 tp -116.48 115.21 25.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.22 174.23 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 9' ' ' PRO . 14.3 t -119.62 145.79 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -63.33 127.09 29.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.41 -39.74 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.0 mmp_? -97.53 151.18 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -106.58 109.9 21.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' N ' HD13 ' A' ' 11' ' ' LEU . 62.6 m -96.07 97.98 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.16 104.14 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -89.37 147.52 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 82' ' ' ARG . 73.7 t -144.93 119.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 36.7 mttp -49.51 104.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HB2' HG22 ' A' ' 44' ' ' VAL . 39.3 mt-10 -101.7 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.78 133.32 7.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.2 -103.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -119.21 157.57 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 98.0 m-85 -48.96 167.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.36 42.18 1.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 36.8 p90 -151.15 151.41 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -128.62 146.94 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.49 150.83 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 13.2 ptmt -153.0 151.62 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -113.68 132.0 55.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.24 165.77 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.58 140.71 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.517 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.5 mmt -51.89 118.96 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.8 t -109.12 -44.79 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 37' ' ' THR . 10.3 t0 -107.49 109.25 20.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 36' ' ' MET . 41.0 mm -109.55 90.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 41' ' ' PRO . 84.1 m -44.22 138.67 3.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.691 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.74 135.95 31.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 45.02 48.31 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.23 -174.15 16.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.837 HG12 HD13 ' A' ' 14' ' ' LEU . 95.7 t -49.5 -38.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -75.52 -69.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpp -43.01 -36.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -68.37 -40.3 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.31 65.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.23 37.36 3.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.795 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.5 p -108.02 122.36 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.96 168.5 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.39 159.77 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.2 m-20 57.27 28.05 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 87.6 m-20 -84.8 108.74 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.67 102.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 HD21 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -53.67 140.99 27.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -111.89 -48.65 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.3 pt-20 -152.9 173.31 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' ND2' ' A' ' 60' ' ' ASN . 83.0 t -142.19 109.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.594 ' ND2' HG12 ' A' ' 59' ' ' VAL . 5.5 m-20 70.81 28.23 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.93 20.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 64' ' ' VAL . 59.4 mt-10 -137.81 117.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -59.51 116.81 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 58' ' ' GLU . 34.6 m -122.3 21.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.15 -57.71 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -13.37 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.58 160.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' GLU . 58.5 m -95.56 145.24 25.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.464 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.9 t-80 -39.13 -49.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -55.38 -41.82 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 66.6 mm-40 -64.21 -38.07 89.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG13 HG21 ' A' ' 59' ' ' VAL . 89.8 t -75.75 -65.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.8 p -39.69 -31.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.98 -44.05 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.6 -25.06 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -76.12 -49.1 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.48 -55.27 29.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -54.13 -44.05 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.3 t -34.14 -41.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.76 -105.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 m -119.83 -37.69 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 15' ' ' VAL . 61.2 mtm180 -111.86 150.97 29.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' A' ' 60' ' ' ASN . 3.2 m -140.1 163.36 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.568 ' HG3' HD11 ' A' ' 11' ' ' LEU . 29.9 ttm -120.7 107.74 13.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 46.8 m-85 -100.8 123.27 44.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 10' ' ' ARG . 16.7 tp -115.32 112.53 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.743 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.8 171.66 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.82 147.44 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.81 130.39 43.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -55.34 -28.17 52.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 2.2 pt-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HB3' HG22 ' A' ' 88' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.731 0.221 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 86' ' ' LEU . 54.4 mtp180 -109.07 147.99 31.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.884 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.1 tm? -101.73 118.32 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' N ' HD13 ' A' ' 11' ' ' LEU . 85.7 m -106.61 109.15 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.53 104.53 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.855 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -85.46 139.7 31.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 82' ' ' ARG . 69.0 t -127.13 124.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -62.47 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.19 -58.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.1 125.42 6.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.57 -115.97 8.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 1.5 t -105.93 -68.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.875 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 14' ' ' LEU . 41.5 m-85 -166.08 -176.3 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.85 27.8 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 52.3 p90 -138.47 149.2 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 m -120.32 145.72 46.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.04 138.46 50.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -156.85 132.96 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 70.8 p -75.01 147.42 40.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.63 166.76 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 55' ' ' HIS . 8.0 p90 -157.06 148.22 21.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.585 ' HB3' HD11 ' A' ' 39' ' ' ILE . 9.1 mmt -58.54 119.88 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.7 t -102.36 -44.58 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 37' ' ' THR . 17.6 t0 -115.52 115.8 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 36' ' ' MET . 50.1 mm -108.62 88.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' HD2' ' A' ' 41' ' ' PRO . 62.6 m -33.74 135.93 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.8 151.09 68.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' PRO . 57.2 mt-30 33.85 40.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.05 -173.29 19.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.855 HG12 HD13 ' A' ' 14' ' ' LEU . 91.1 t -56.37 -38.48 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.64 -68.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.2 tpp -46.4 -29.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -77.25 -37.11 53.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.38 66.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.48 32.98 3.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.491 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -106.18 127.41 61.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.03 158.78 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.69 164.24 26.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' MET . 3.7 m-20 52.43 29.33 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 23.6 t-160 -53.32 114.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -69.14 132.58 46.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.6 mm -98.19 -52.83 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.731 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.1 pt-20 -155.15 164.16 39.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' VAL . 48.2 t -128.36 112.48 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.604 HD21 HG12 ' A' ' 83' ' ' VAL . 3.1 m120 64.51 32.19 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 45.04 7.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 6.9 tt0 -146.04 110.03 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 65' ' ' GLU . 5.3 t-20 -55.77 105.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 58' ' ' GLU . 27.7 m -117.1 2.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HG2' ' ND2' ' A' ' 63' ' ' ASN . 0.1 OUTLIER -57.52 -18.41 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.65 2.57 11.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.34 158.27 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 p -76.25 173.09 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 18.9 t-160 -70.89 -35.74 72.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.94 -25.95 61.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -27.55 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.82 -53.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 74' ' ' GLU . 3.7 p -39.68 -48.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.482 ' N ' HG13 ' A' ' 73' ' ' VAL . 12.4 pt-20 -63.96 -45.6 88.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 33.7 mttp -53.51 -44.99 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.96 -48.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -54.46 -40.81 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 15.9 mmtt -67.48 -31.9 72.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.73 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.5 p -34.14 -54.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.65 -88.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -121.28 -52.07 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.373 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 15' ' ' VAL . 35.0 mtt180 -113.82 158.49 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 79' ' ' SER . 14.2 m -139.46 162.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.884 ' CG ' HD21 ' A' ' 11' ' ' LEU . 20.9 ttm -121.03 101.23 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 62.0 m-85 -95.81 134.45 38.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 10' ' ' ARG . 9.7 tp -122.5 116.0 23.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -131.32 173.54 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 9' ' ' PRO . 61.7 t -116.96 148.61 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.95 117.24 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 14.2 pttm -39.27 -45.33 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.8 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.832 0.264 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -120.42 131.4 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.744 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -84.4 115.77 22.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' HD13 ' A' ' 11' ' ' LEU . 15.4 m -102.93 97.93 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -84.96 103.04 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.956 HD13 HG12 ' A' ' 44' ' ' VAL . 2.0 mm? -89.56 140.0 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.62 ' O ' HG11 ' A' ' 44' ' ' VAL . 54.3 t -127.81 142.53 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.28 103.67 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -117.74 -38.04 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -115.09 176.56 16.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.86 -32.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.9 m -163.28 162.62 25.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 85.8 m-85 -52.14 174.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.35 36.58 4.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 42.1 p90 -146.11 163.24 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 m -128.03 160.62 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 34' ' ' VAL . 71.3 mt -132.61 136.63 46.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.88 143.85 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -100.34 128.21 46.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.604 HG21 ' HB3' ' A' ' 25' ' ' LEU . 8.2 p -117.65 164.2 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 34' ' ' VAL . 3.8 p90 -156.97 150.13 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.557 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.0 mmt -61.19 128.89 38.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 38' ' ' ASP . 10.0 t -117.81 -43.12 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' N ' HG23 ' A' ' 37' ' ' THR . 4.5 t0 -111.6 112.84 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 36' ' ' MET . 45.4 mm -110.86 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.5 m -51.79 126.33 32.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.56 0.695 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.7 26.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.633 2.222 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 59.73 39.6 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 -155.89 11.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.956 HG12 HD13 ' A' ' 14' ' ' LEU . 66.4 t -71.52 -39.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -74.91 -58.97 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 tpp -48.69 -22.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -82.92 -41.98 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.22 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 38.2 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.793 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 5.6 p -109.35 127.86 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.0 162.31 13.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -72.67 -176.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.1 OUTLIER 38.89 31.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 6.0 m-20 -96.29 108.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.13 108.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -56.69 129.22 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -97.82 -49.99 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.772 ' HA ' HG22 ' A' ' 64' ' ' VAL . 16.2 pt-20 -161.85 176.71 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.598 HG12 ' OD1' ' A' ' 60' ' ' ASN . 44.0 t -146.34 121.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.598 ' OD1' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER 61.52 26.03 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.67 43.6 7.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.5 mp0 -141.28 107.16 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.18 101.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 58' ' ' GLU . 24.8 m -110.1 16.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.51 -44.73 6.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.9 43.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -112.62 141.75 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.83 158.58 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG12 ' A' ' 73' ' ' VAL . 20.9 t-160 -56.18 -27.43 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -72.1 -32.03 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -36.59 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 88.8 t -75.69 -60.3 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 69' ' ' HIS . 7.5 p -37.01 -34.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -78.13 -48.61 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -54.9 -31.15 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.35 -60.58 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -51.47 -51.52 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 55.0 mttt -55.91 -44.39 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.8 t -34.15 -44.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.41 -106.91 0.88 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -110.68 -41.36 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -108.98 154.98 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.77 157.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.744 ' HG3' HD11 ' A' ' 11' ' ' LEU . 22.5 ttm -119.41 107.7 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 85.3 m-85 -104.2 125.07 50.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.79 119.86 38.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.578 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.46 174.25 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 89' ' ' ASP . 61.0 t -118.65 158.71 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.514 ' N ' HG12 ' A' ' 88' ' ' VAL . 15.7 m-20 -66.87 127.84 34.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -50.49 -18.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HG2' HD11 ' A' ' 86' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.757 0.232 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -121.55 106.87 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -68.5 111.71 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' N ' HD13 ' A' ' 11' ' ' LEU . 59.7 m -99.01 102.52 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.66 102.66 14.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -85.38 144.59 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -144.4 111.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 17.4 mtpt -44.35 106.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 44' ' ' VAL . 3.0 tp10 -103.25 -62.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.39 126.48 6.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.24 -100.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -111.11 159.75 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 88.1 m-85 -53.92 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -117.28 33.0 5.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 44.2 p90 -145.12 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -120.73 159.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.88 128.15 43.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -131.4 144.12 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -95.14 143.4 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.153 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.2 169.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.3 p90 -156.94 144.04 18.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.6 mmt -55.05 124.06 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -113.45 -38.88 4.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.52 116.68 29.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 36' ' ' MET . 38.8 mm -114.39 88.83 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -40.08 133.51 1.48 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.7 23.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.54 41.85 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.97 -168.35 14.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG12 ' CD1' ' A' ' 14' ' ' LEU . 40.0 t -53.6 -39.14 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -71.39 -72.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -42.86 -31.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -69.2 -42.95 75.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.07 -17.53 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.28 34.62 7.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -103.15 148.62 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.09 163.43 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.04 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.4 t0 47.24 29.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 8.6 m-20 -85.44 109.19 18.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 5.9 t-160 -53.99 114.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -65.27 127.93 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.8 mm -95.8 -51.1 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.717 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.4 pt-20 -157.82 171.66 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.718 HG23 HG21 ' A' ' 64' ' ' VAL . 90.5 t -136.23 122.22 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 HG12 ' A' ' 83' ' ' VAL . 3.2 m120 54.82 26.31 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.1 42.14 6.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -145.93 108.02 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -49.94 113.56 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.718 HG21 HG23 ' A' ' 59' ' ' VAL . 6.2 m -124.27 17.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -51.81 -34.5 40.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.13 -20.76 13.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -49.39 126.47 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -64.67 160.39 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 t-160 -49.01 -36.8 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.2 pt-20 -66.58 -42.22 87.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.5 mm-40 -61.96 -42.04 98.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' LYS . 89.2 t -76.49 -65.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.5 p -35.16 -35.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.3 mt-10 -77.85 -44.55 26.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 23.4 mttt -60.13 -26.16 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.42 -61.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 20.8 pttt -52.18 -37.78 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 44.4 mtmt -74.33 -36.82 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' LYS . 23.1 p -35.79 -44.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.03 -97.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.0 m -125.08 -42.43 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -109.13 153.51 23.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 HD21 ' A' ' 60' ' ' ASN . 0.4 OUTLIER -146.18 156.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.7 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.8 ttm -117.72 113.09 21.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 51.3 m-85 -108.95 124.27 50.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 tp -110.81 113.27 25.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -136.87 170.08 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 89' ' ' ASP . 16.7 t -115.84 160.34 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.8 m-20 -67.0 118.83 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -21.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.764 0.235 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.64 123.34 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.5 tm? -82.18 112.98 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.13 99.22 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.49 110.95 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD13 HG12 ' A' ' 44' ' ' VAL . 1.4 mm? -95.72 142.35 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.17 131.43 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -61.92 99.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -99.76 -60.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -130.95 132.88 7.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.97 -107.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -88.98 165.7 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -66.14 -72.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.28 -48.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 39.7 p90 -68.11 173.37 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m -138.03 154.57 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HB3' HG21 ' A' ' 34' ' ' VAL . 64.9 mt -123.04 145.39 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -160.59 137.7 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.0 p -105.91 130.33 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' LEU . 3.2 p -119.01 161.0 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.7 p90 -155.72 147.72 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.557 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 24.0 mmt -60.01 130.76 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.5 t -120.28 -45.9 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 37' ' ' THR . 5.7 t70 -110.76 112.75 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.4 mm -109.72 84.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 41' ' ' PRO . 85.7 m -38.44 137.69 0.79 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.83 157.25 60.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 53.5 mt-30 36.07 37.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.34 -175.88 21.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 14' ' ' LEU . 96.7 t -60.11 -37.35 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.19 -69.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 tpp -42.75 -26.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -78.21 -37.28 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -68.34 -20.62 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.62 34.91 5.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.9 p -110.54 131.33 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.0 pp -102.57 167.52 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -73.1 162.74 29.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 57.85 49.65 11.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.609 ' HB3' HD22 ' A' ' 87' ' ' LEU . 23.0 m-20 -111.13 106.29 15.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -52.6 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.4 123.32 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -92.98 -49.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.989 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.6 pt-20 -162.17 172.89 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 72' ' ' VAL . 60.1 t -139.55 119.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 4.0 t-20 62.1 26.58 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.94 34.6 17.87 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.1 mt-10 -131.43 106.81 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.401 HD22 ' CD ' ' A' ' 65' ' ' GLU . 17.3 m120 -50.17 110.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' HA ' ' A' ' 58' ' ' GLU . 30.6 m -124.27 20.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' CD ' HD22 ' A' ' 63' ' ' ASN . 1.8 mp0 -48.26 -42.47 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 42.28 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -110.67 139.39 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -68.33 148.63 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.718 ' O ' HG12 ' A' ' 73' ' ' VAL . 11.3 t-160 -42.94 -48.72 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 7.6 pt-20 -52.07 -41.67 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 19.0 mt-10 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG13 HG21 ' A' ' 59' ' ' VAL . 94.1 t -82.91 -64.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.8 p -36.18 -41.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.57 -44.48 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' VAL . 33.0 mttt -59.19 -20.37 53.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG13 HG11 ' A' ' 83' ' ' VAL . 91.7 t -87.55 -62.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -27.71 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.3 mttm -75.41 -49.35 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 26.9 t -33.51 -43.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.94 -90.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t -132.5 -37.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -111.72 146.8 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.632 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 32.1 m -140.31 174.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.744 ' CG ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -130.56 105.69 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.632 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 76.5 m-85 -98.64 122.37 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -111.0 122.4 47.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -143.03 176.74 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.15 149.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.5 118.32 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 50.5 pttt -38.5 -47.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 17.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.661 ' HG2' HD11 ' A' ' 86' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.829 0.262 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -104.79 122.94 46.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -81.71 111.93 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.2 m -96.53 109.04 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -94.77 107.02 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -91.65 143.93 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.968 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 82' ' ' ARG . 44.5 t -139.21 120.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -53.69 122.98 10.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -122.03 -64.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.8 133.03 6.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 42.28 -113.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 p -83.98 171.37 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -68.26 -71.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.6 34.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -155.84 164.44 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -129.78 163.12 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 16.5 mt -133.83 139.32 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 16.0 ptmt -137.38 155.04 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 69.8 p -112.07 129.28 56.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 56' ' ' LEU . 2.7 m -92.18 159.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -155.32 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.48 136.0 37.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.1 t -123.62 -47.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 37' ' ' THR . 32.7 t70 -117.06 104.2 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 52' ' ' ALA . 47.1 mm -93.6 107.5 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.2 m -60.16 129.38 88.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' GLN . 54.3 Cg_endo -69.74 161.2 46.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.653 2.236 . . . . 0.0 112.377 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' PRO . 27.6 pt20 34.15 46.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 47' ' ' ARG . . . -124.35 -163.14 11.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 14' ' ' LEU . 73.5 t -69.7 -46.98 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -62.97 -64.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 tpp -45.2 -32.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 14.4 mmp_? -79.26 -36.41 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.98 29.74 11.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 2.8 p -106.45 129.12 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.9 pp -106.44 169.62 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.668 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -79.66 170.79 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.38 38.47 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 36.2 m-20 -116.23 113.14 22.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -60.27 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.912 HD12 HG23 ' A' ' 34' ' ' VAL . 13.6 mt -75.77 132.23 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -105.31 -41.64 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -173.3 144.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG12 ' ND2' ' A' ' 60' ' ' ASN . 87.4 t -116.37 132.6 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' ND2' HG12 ' A' ' 59' ' ' VAL . 20.1 p30 38.05 34.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.11 33.94 13.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.1 mm-40 -132.63 99.76 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -51.93 113.33 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 62' ' ' GLU . 16.5 m -123.38 30.46 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.32 -46.81 85.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.39 31.47 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.1 165.47 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 8.5 m -96.36 144.5 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.2 t-160 -38.18 -43.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.9 pt-20 -60.64 -42.59 97.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' SER . 56.6 mt-10 -61.63 -40.94 96.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 34' ' ' VAL . 84.6 t -70.94 -64.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.649 HG22 ' HD2' ' A' ' 77' ' ' LYS . 10.3 p -38.43 -35.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -58.09 -34.35 70.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.05 -51.5 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HD2' HG22 ' A' ' 73' ' ' VAL . 39.3 mtpt -56.79 -43.95 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.0 mttm -64.34 -39.87 94.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.563 ' CB ' HG12 ' A' ' 83' ' ' VAL . 27.5 t -34.41 -46.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.08 -102.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -113.58 -45.54 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.7 mtm180 -109.5 149.94 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.563 HG12 ' CB ' ' A' ' 79' ' ' SER . 13.8 m -135.96 170.65 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 11' ' ' LEU . 23.4 ttm -131.92 109.21 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 59' ' ' VAL . 83.2 m-85 -103.22 127.31 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 9' ' ' PRO . 18.7 tp -118.74 111.58 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.28 172.38 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.21 145.32 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.54 129.33 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -44.03 -42.23 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.841 0.267 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' HD12 ' A' ' 86' ' ' LEU . 6.3 mmp_? -111.14 154.77 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.27 122.76 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.722 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.4 m -110.34 97.98 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -85.63 108.87 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -97.62 140.88 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 82' ' ' ARG . 91.5 t -136.66 127.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -51.43 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -105.08 -52.98 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -116.1 176.5 16.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.59 -41.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 t -136.6 137.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -38.57 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.73 37.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -160.35 165.25 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -137.27 143.34 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -116.64 145.72 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -97.93 150.35 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG21 ' OH ' ' A' ' 35' ' ' TYR . 30.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.32 159.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' A' ' 28' ' ' VAL . 4.2 p90 -156.97 170.68 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.7 mmt -79.73 140.49 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -126.69 -32.52 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -128.12 118.04 22.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.08 117.42 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.6 m -68.19 128.39 93.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 128.61 16.27 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 70.3 35.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.14 -173.47 18.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 14' ' ' LEU . 31.1 t -60.22 -52.89 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.791 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -60.28 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpp -42.46 -29.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -90.53 -30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.45 23.22 11.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.791 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p -104.38 136.61 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.59 157.78 31.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 162.08 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 61.51 50.04 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' HB3' HD22 ' A' ' 87' ' ' LEU . 26.1 m-20 -124.4 108.0 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -61.41 126.68 28.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 34' ' ' VAL . 10.9 mt -68.2 136.04 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mm -108.08 -44.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -170.12 142.42 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 85' ' ' PHE . 55.8 t -114.14 128.75 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.86 33.06 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.25 31.04 35.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.823 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.2 mt-10 -131.46 91.73 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' GLU . 20.0 t-20 -35.45 122.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 62' ' ' GLU . 30.6 m -128.16 16.39 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -60.3 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.15 28.77 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.5 138.85 31.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -71.48 167.43 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.954 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -62.69 -47.07 85.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.443 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 5.3 mm-40 -60.51 -16.27 35.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.73 -37.53 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' VAL . 98.4 t -79.02 -57.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -34.96 -48.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 7.4 pt-20 -68.5 -46.61 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 31.8 mttp -55.05 -27.3 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -78.51 -61.92 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -54.76 -28.76 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 22.9 mttm -81.35 -49.38 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.7 m -35.11 -38.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.17 -137.37 9.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.24 -37.81 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.711 ' HG2' HG13 ' A' ' 15' ' ' VAL . 64.1 mtt180 -110.22 148.9 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.6 m -139.1 168.32 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.9 ttm -129.25 101.81 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.6 m-85 -95.05 132.06 40.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.3 tp -120.96 107.79 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.3 167.94 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 146.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -64.51 151.66 43.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 32.4 pttt -65.96 -53.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 12.2 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.774 0.239 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -111.18 119.81 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.668 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.8 OUTLIER -79.72 115.81 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.601 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -101.55 97.99 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.21 98.63 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.002 HD13 HG12 ' A' ' 44' ' ' VAL . 1.5 mm? -84.59 144.96 28.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 t -138.38 118.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -47.62 105.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -106.89 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.32 119.04 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.43 -107.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -101.41 149.82 23.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -47.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.55 41.47 2.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 11.3 p90 -148.32 150.26 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.8 m -114.99 162.75 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 34' ' ' VAL . 63.1 mt -129.89 142.3 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' CD ' HG21 ' A' ' 37' ' ' THR . 17.4 ptmt -160.13 135.55 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -103.72 129.64 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 25' ' ' LEU . 1.9 p -130.02 162.38 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.9 p90 -156.48 148.35 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASP . 22.5 mmt -60.54 127.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.9 t -117.47 -49.29 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 37' ' ' THR . 12.4 t70 -105.45 110.8 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.17 93.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.7 m -40.49 126.95 1.81 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 60.87 38.41 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.68 -175.13 16.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.554 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.002 HG12 HD13 ' A' ' 14' ' ' LEU . 87.8 t -51.73 -47.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.88 -69.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.5 tpp -43.77 -34.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -72.28 -39.42 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.7 68.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.68 2.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.681 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.3 p -112.82 129.91 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 pt? -101.38 171.08 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.46 167.2 22.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' MET . 2.8 m-20 54.87 43.7 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 28.2 m-20 -104.22 104.56 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -51.62 103.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -54.79 131.0 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.45 -49.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -156.24 173.88 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 72' ' ' VAL . 86.8 t -141.29 112.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.625 ' ND2' HG12 ' A' ' 59' ' ' VAL . 51.1 m-20 68.51 30.33 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.04 46.56 7.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.864 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.2 tp10 -150.6 116.66 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -51.69 113.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.8 m -126.91 25.91 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.56 -44.31 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.8 -4.64 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -70.89 148.63 47.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 m -83.56 162.4 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 73' ' ' VAL . 16.7 t-160 -52.04 -43.63 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.57 -38.58 75.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.03 -40.38 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.866 HG13 HG21 ' A' ' 59' ' ' VAL . 84.0 t -72.44 -62.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 12.1 p -41.44 -44.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.4 mt-10 -68.5 -33.15 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.5 mttp -73.7 -21.85 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HG11 ' A' ' 83' ' ' VAL . 67.0 t -82.35 -67.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -47.45 -38.96 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.73 -34.38 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -40.31 -37.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.03 -95.85 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -124.08 -44.62 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -109.2 156.76 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG12 ' OD1' ' A' ' 60' ' ' ASN . 2.7 m -143.7 171.19 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.668 ' HG3' HD11 ' A' ' 11' ' ' LEU . 20.6 ttm -131.53 109.17 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 71.3 m-85 -105.48 125.01 50.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.4 116.32 28.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -140.1 175.15 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 9' ' ' PRO . 5.3 t -122.55 157.92 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.55 163.46 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -83.92 -36.8 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.763 0.234 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -107.19 146.61 31.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -95.87 113.33 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.9 m -103.17 97.97 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -89.08 111.59 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.966 HD13 HG12 ' A' ' 44' ' ' VAL . 1.7 mm? -95.13 137.57 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.734 HG13 ' CG ' ' A' ' 82' ' ' ARG . 22.0 t -128.62 118.72 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -45.29 105.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.56 -59.55 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 120.45 3.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.47 -98.6 0.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 6.7 m -119.81 -62.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 20' ' ' SER . 20.9 m-85 -167.69 -177.94 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.27 35.61 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 51.1 p90 -148.53 156.17 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -125.83 150.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 20.5 mt -117.02 147.39 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 142.13 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.2 p -97.74 138.43 35.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.67 174.58 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.2 p90 -157.03 146.09 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 17.6 mmt -60.56 126.7 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.6 t -116.88 -42.49 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 37' ' ' THR . 3.3 t70 -109.62 112.41 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 46' ' ' MET . 39.1 mm -103.48 90.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' ILE . 84.2 m -34.33 131.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.75 127.15 14.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 49.53 36.09 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.37 -140.29 11.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.966 HG12 HD13 ' A' ' 14' ' ' LEU . 98.4 t -85.8 -52.83 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.721 ' HB1' HG11 ' A' ' 50' ' ' VAL . . . -63.38 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.677 ' HB2' HG22 ' A' ' 39' ' ' ILE . 12.7 ttm -40.95 -37.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.9 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.22 -19.43 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.44 29.94 7.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.721 HG11 ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -100.04 131.26 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.5 mt -93.99 162.27 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.6 170.53 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER 47.57 26.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 87' ' ' LEU . 26.4 m-20 -85.6 103.33 14.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 4.1 t-160 -49.68 113.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.729 HD12 HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.04 142.69 58.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.67 -51.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.0 pt-20 -161.69 168.56 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG12 HD22 ' A' ' 60' ' ' ASN . 48.2 t -130.89 127.28 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.645 HD21 HG12 ' A' ' 83' ' ' VAL . 70.3 m-80 51.74 39.2 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 45.44 51.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.857 ' O ' HG13 ' A' ' 64' ' ' VAL . 38.2 mt-10 -142.84 109.86 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -50.34 115.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.857 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.2 m -126.98 11.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.75 -53.42 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -89.77 -16.67 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.05 137.43 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -71.21 165.59 23.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.491 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.7 t-160 -59.24 -44.39 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -59.2 -29.31 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' OE1' ' CA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -75.47 -37.1 60.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 84.0 t -76.78 -60.11 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.8 p -33.82 -54.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.585 ' N ' HG13 ' A' ' 73' ' ' VAL . 16.5 pt-20 -64.16 -43.68 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.8 mttp -56.43 -33.28 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.38 -62.21 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.55 -34.53 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 40.6 mttt -68.34 -46.04 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.638 ' CB ' HG12 ' A' ' 83' ' ' VAL . 34.5 t -34.23 -41.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.61 -119.8 3.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -91.28 -53.48 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.734 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -109.53 159.56 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.645 HG12 HD21 ' A' ' 60' ' ' ASN . 23.2 m -138.01 168.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.564 ' HG3' HD11 ' A' ' 11' ' ' LEU . 26.3 ttm -123.86 101.26 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 83' ' ' VAL . 53.4 m-85 -97.04 122.43 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.27 118.12 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -140.83 172.3 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 9' ' ' PRO . 3.3 t -118.79 155.77 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 159.77 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -79.34 -32.62 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.79 0.246 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 mmm180 -106.59 140.44 39.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.8 tm? -96.08 116.3 28.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -102.25 98.23 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.82 104.15 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -93.68 144.06 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.0 t -142.32 118.66 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -48.94 118.65 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.16 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.26 137.62 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.73 -110.43 0.46 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 m -117.87 162.82 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -55.84 162.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.22 31.24 6.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 17.7 p90 -145.51 150.35 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 m -130.1 143.67 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 31.4 mt -106.36 157.67 17.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -162.81 151.25 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -103.23 126.25 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 69' ' ' HIS . 69.1 t -98.26 145.84 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -153.59 144.53 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 14.8 mmt -59.1 132.49 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 38' ' ' ASP . 15.1 t -116.52 -41.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.09 114.39 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mm -110.35 87.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -41.27 129.59 2.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.12 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 56.1 39.18 30.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.83 179.29 16.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 14' ' ' LEU . 77.6 t -48.8 -30.13 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.99 -68.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpp -46.87 -24.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -36.1 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.93 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.5 40.91 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 87' ' ' LEU . 7.2 p -112.57 125.75 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.645 HD13 ' NZ ' ' A' ' 90' ' ' LYS . 61.1 mt -91.85 159.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 164.01 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.4 m-20 55.86 25.39 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.11 114.61 25.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -55.81 112.95 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -67.04 105.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.45 -54.18 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.89 ' HA ' HG22 ' A' ' 64' ' ' VAL . 6.4 pt-20 -155.2 172.7 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.659 HG12 ' ND2' ' A' ' 60' ' ' ASN . 96.4 t -138.15 106.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.659 ' ND2' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER 69.44 36.9 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 36.93 45.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.5 mt-10 -133.68 103.82 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -50.37 107.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 58' ' ' GLU . 35.0 m -121.78 13.62 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' VAL . 23.3 mt-10 -38.47 -47.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -112.05 43.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -100.73 163.09 12.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.2 t -94.75 155.7 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 34' ' ' VAL . 4.6 t-160 -50.4 -35.14 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.18 -29.0 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.68 -33.02 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 59' ' ' VAL . 71.2 t -83.47 -55.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.1 p -41.52 -36.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.6 -44.52 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 23.7 mttp -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 59' ' ' VAL . 63.4 t -86.05 -48.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -66.78 -48.45 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.9 mtmt -59.49 -43.3 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.0 t -35.15 -42.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.26 -114.25 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -100.68 -49.6 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -109.09 160.58 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 HG13 ' A' ' 76' ' ' VAL . 2.6 m -140.95 165.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.591 ' CG ' HD21 ' A' ' 11' ' ' LEU . 25.2 ttm -119.67 107.65 13.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 63.1 m-85 -101.63 127.88 48.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.1 tp -119.26 114.0 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -132.95 172.39 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.12 148.74 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.13 119.21 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.645 ' NZ ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.21 -24.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.779 0.241 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -101.24 129.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -84.76 103.28 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.36 99.58 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -82.54 99.37 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.779 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -87.41 141.87 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 82' ' ' ARG . 23.2 t -140.46 135.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -60.24 119.8 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -126.85 -44.9 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -124.83 176.23 17.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -36.7 -48.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -128.33 138.14 52.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -44.05 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.63 35.46 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 10.2 p90 -158.03 153.03 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 m -124.35 159.25 30.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.12 126.9 42.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HD3' HG21 ' A' ' 37' ' ' THR . 30.2 pttt -127.02 153.8 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.562 HG22 HG12 ' A' ' 34' ' ' VAL . 48.9 p -100.24 147.34 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 27' ' ' THR . 17.0 m -138.54 -179.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.0 160.04 38.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 87' ' ' LEU . 17.9 mmt -64.23 128.04 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.701 HG21 ' HD3' ' A' ' 26' ' ' LYS . 1.3 t -142.47 161.97 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 49.59 44.22 24.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 52' ' ' ALA . 24.4 mm -51.56 118.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -66.78 121.21 76.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.38 13.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 71.22 50.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.84 -173.63 12.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.779 HG12 HD13 ' A' ' 14' ' ' LEU . 61.3 t -54.86 -36.09 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -73.08 -70.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 tpp -44.79 -26.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -83.52 -38.51 21.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.7 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 31.06 5.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.653 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.7 p -101.35 125.74 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.9 mt -94.02 144.93 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 39' ' ' ILE . . . -64.53 164.13 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.33 33.36 22.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 1.2 m-20 -98.31 109.61 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -54.44 110.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.697 HD12 HD21 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -58.26 132.85 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.97 -50.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -159.83 176.3 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -143.0 124.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.831 HD21 HG12 ' A' ' 83' ' ' VAL . 59.7 m-20 52.3 32.52 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.96 35.13 22.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 64' ' ' VAL . 50.3 mt-10 -131.41 109.36 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -58.75 109.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.7 m -125.91 17.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -39.59 -42.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -121.69 48.3 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.56 144.25 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.1 m -62.1 149.61 40.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' O ' HG12 ' A' ' 73' ' ' VAL . 17.2 t-160 -56.56 -24.58 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.807 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 42.4 mm-40 -84.63 -22.44 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.26 -38.49 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.8 -57.33 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.3 p -38.16 -48.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 15.0 pt-20 -69.55 -44.53 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 25.5 mttm -55.73 -38.06 69.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.05 -45.95 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -63.96 -53.19 54.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.3 mttm -48.64 -40.74 28.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.602 ' CB ' HG12 ' A' ' 83' ' ' VAL . 48.1 t -33.87 -48.0 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 -107.72 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 m -99.25 -50.8 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.604 ' HB3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -114.13 164.81 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG12 HD21 ' A' ' 60' ' ' ASN . 5.6 m -140.86 167.75 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.851 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.3 ttm -126.43 113.05 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -107.08 132.4 53.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 111.31 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.85 176.49 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -110.0 152.51 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.5 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -23.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.808 0.253 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -114.7 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 84' ' ' MET . 1.6 tm? -84.19 113.81 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.541 ' N ' HD13 ' A' ' 11' ' ' LEU . 14.5 m -100.59 100.31 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -87.08 103.57 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -89.81 136.1 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 82' ' ' ARG . 92.3 t -129.24 132.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -59.17 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -103.06 -37.41 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -131.82 175.09 19.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.51 -48.94 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -125.33 137.09 54.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -42.32 -64.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.33 30.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -151.01 151.11 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -122.83 144.44 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.88 142.37 46.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 10.6 ptmt -146.19 152.08 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -104.36 145.63 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.73 171.44 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.02 147.93 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.8 mmt -61.73 134.36 56.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.0 t -122.21 -40.63 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 37' ' ' THR . 8.4 t0 -116.21 116.24 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.43 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.0 m -45.17 126.39 5.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.22 32.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 58.36 51.03 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.33 -160.94 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.757 HG12 HD13 ' A' ' 14' ' ' LEU . 87.2 t -67.05 -42.26 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.11 -63.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.2 tpp -49.44 -22.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -88.13 -33.48 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.86 -22.37 63.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.62 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.652 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.5 p -106.09 138.53 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -113.58 170.92 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -75.33 165.61 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.3 m-20 51.89 50.61 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 16.6 m-20 -114.54 106.73 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.59 100.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -55.66 130.76 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -96.69 -51.22 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.5 pt-20 -157.21 169.32 25.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' HD21 ' A' ' 56' ' ' LEU . 49.2 t -137.77 110.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 3.5 t-20 71.44 29.78 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.55 41.92 9.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.7 tt0 -143.49 115.65 8.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.8 109.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 58' ' ' GLU . 23.0 m -118.53 19.72 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -49.82 -40.0 40.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -122.21 41.67 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.07 136.59 43.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -61.61 143.81 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.3 t-160 -44.45 -40.79 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.0 -34.52 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.53 -43.28 81.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' LYS . 99.2 t -74.12 -61.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.2 p -38.9 -38.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -73.94 -43.2 59.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.1 mttp -61.65 -21.94 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.21 -57.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -62.08 -30.76 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 79' ' ' SER . 24.3 mttm -73.17 -43.47 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 78' ' ' LYS . 3.7 t -34.01 -43.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 -101.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.4 m -117.03 -44.43 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' HG13 ' A' ' 15' ' ' VAL . 25.7 mtt180 -109.0 155.64 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 14' ' ' LEU . 8.5 m -140.91 170.09 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.693 ' CG ' HD21 ' A' ' 11' ' ' LEU . 22.3 ttm -130.8 105.49 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.4 m-85 -99.49 128.49 45.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -120.81 114.77 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -133.86 175.67 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.09 146.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.2 125.78 25.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 24.1 pttm -42.33 -44.7 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 15.3 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.794 0.248 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -112.36 129.74 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -81.78 105.45 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.54 100.02 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.9 98.66 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -84.52 136.49 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 82' ' ' ARG . 47.0 t -140.97 104.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.8 ptpt -42.63 142.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.46 -73.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.81 117.98 4.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.01 -68.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 p -149.71 -176.52 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 3.7 m-85 -66.88 -174.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.48 44.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.501 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.4 p90 -157.44 160.26 38.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -130.94 147.26 52.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -112.41 159.76 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -159.62 154.78 25.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 72.0 p -111.62 129.93 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.69 168.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 4.0 p90 -156.54 150.83 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.58 132.58 52.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.594 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.8 t -120.13 -50.67 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.594 ' N ' HG23 ' A' ' 37' ' ' THR . 10.5 t70 -105.14 109.7 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 48.6 mm -102.99 84.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 41' ' ' PRO . 29.8 m -34.17 137.26 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.567 0.698 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.78 138.09 36.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 46.27 44.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.21 -175.0 16.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 14' ' ' LEU . 84.1 t -49.2 -43.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -71.3 -65.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 tpp -45.68 -26.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -80.6 -36.71 32.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.16 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.4 7.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.515 HG23 HD13 ' A' ' 87' ' ' LEU . 5.8 p -96.39 124.95 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.78 162.4 18.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.62 162.08 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.7 25.23 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.12 112.9 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -57.97 109.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 HD21 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -62.45 121.03 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 86' ' ' LEU . 37.7 mm -83.38 -55.76 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.775 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.7 pt-20 -154.39 171.46 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 HG21 ' A' ' 64' ' ' VAL . 48.9 t -138.01 123.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' OD1' HG12 ' A' ' 83' ' ' VAL . 1.6 m-20 56.41 28.37 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.3 31.96 29.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.4 mt-10 -129.83 102.22 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -47.33 105.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 58' ' ' GLU . 17.0 m -117.64 10.78 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' VAL . 21.0 mt-10 -34.38 -44.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -126.19 47.17 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.71 133.47 46.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -50.45 151.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.735 ' O ' HG12 ' A' ' 73' ' ' VAL . 7.9 t-160 -58.42 -34.36 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.2 -22.12 55.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -79.81 -31.99 40.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' LYS . 86.4 t -85.86 -61.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.4 p -35.37 -46.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.7 pt-20 -67.97 -42.67 80.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 46.5 mttt -54.99 -44.73 74.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 83' ' ' VAL . 67.4 t -61.63 -55.22 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -48.02 -50.95 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.4 mmtt -51.02 -53.05 36.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.1 t -33.02 -47.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.8 -106.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -115.54 -15.59 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.2 ptp180 -133.1 155.12 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 ' OD1' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.99 163.28 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.784 ' HG3' HD11 ' A' ' 11' ' ' LEU . 23.9 ttm -110.85 106.96 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 83' ' ' VAL . 66.2 m-85 -102.44 141.8 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 57' ' ' ILE . 7.1 tp -130.92 113.75 14.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.575 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.92 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -117.32 150.21 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.2 116.9 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 8.4 ptmt -40.22 -34.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 32.2 mp0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.749 0.229 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -124.3 120.5 32.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.685 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.7 OUTLIER -75.09 113.36 12.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.514 ' N ' HD13 ' A' ' 11' ' ' LEU . 63.7 m -99.89 97.91 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.55 101.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.716 HD13 HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -85.56 130.18 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.608 HG13 ' HG2' ' A' ' 82' ' ' ARG . 77.3 t -132.62 103.56 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.635 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.5 ptmm? -49.34 117.84 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 15.3 pt-20 -92.35 -51.61 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.34 132.12 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.95 -88.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t -112.9 175.69 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 8.3 m-85 -68.89 -175.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.71 43.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 9.7 p90 -163.96 166.5 21.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 37' ' ' THR . 3.0 m -135.63 143.45 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 21.5 mt -99.63 161.78 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -162.93 158.48 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -112.87 148.43 34.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' OH ' ' A' ' 35' ' ' TYR . 11.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG23 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -117.65 173.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 28' ' ' VAL . 2.0 p90 -157.92 176.63 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.602 ' HB3' HD11 ' A' ' 39' ' ' ILE . 17.5 mmt -76.23 141.13 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CD ' ' A' ' 26' ' ' LYS . 14.7 t -157.0 154.05 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 57.32 34.03 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.602 HD11 ' HB3' ' A' ' 36' ' ' MET . 48.2 mm -42.02 123.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.6 m -77.7 130.56 73.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.29 29.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 59.16 42.99 17.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.04 -171.68 13.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.716 HG12 HD13 ' A' ' 14' ' ' LEU . 98.0 t -54.16 -71.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.864 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -43.32 -63.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 tpt -49.07 -22.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -92.05 -32.7 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -24.22 64.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.12 21.36 7.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.864 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 10.9 p -96.46 142.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.191 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.6 pp -120.38 160.73 22.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -59.39 165.47 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 54.85 41.75 31.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.714 ' HB3' HD22 ' A' ' 87' ' ' LEU . 16.7 m-20 -103.65 100.12 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -59.72 124.51 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 64' ' ' VAL . 10.7 mt -69.25 124.66 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.4 mm -98.22 -34.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -175.8 167.34 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.7 t -136.29 135.66 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.0 m-20 36.94 30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . 90.12 36.72 7.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.4 mp0 -141.43 107.16 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.92 121.16 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 56' ' ' LEU . 18.6 m -122.72 15.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.85 -59.12 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 25.5 t0 -108.89 40.04 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.5 142.18 31.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -66.03 153.18 42.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.527 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.1 t-160 -52.63 -40.42 62.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 36.0 mt-10 -68.57 -35.6 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -65.06 -40.55 94.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . 61.0 t -76.91 -62.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 74' ' ' GLU . 9.4 p -35.81 -47.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.538 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.6 mt-10 -61.44 -45.72 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' VAL . 28.2 mttp -55.14 -42.85 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 83' ' ' VAL . 84.4 t -73.84 -53.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 73' ' ' VAL . 25.1 mtpp -47.32 -46.64 25.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' SER . 36.1 mtmt -69.66 -45.88 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.447 ' CB ' HG12 ' A' ' 83' ' ' VAL . 5.0 t -34.76 -41.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.67 -127.71 5.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -100.41 -22.45 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.608 ' HG2' HG13 ' A' ' 15' ' ' VAL . 30.0 mtt180 -122.48 148.81 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 76' ' ' VAL . 3.1 m -146.74 171.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.685 ' HG3' HD11 ' A' ' 11' ' ' LEU . 31.5 ttm -122.91 109.1 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -105.57 128.92 53.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 tp -112.1 103.71 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 54' ' ' ASP . 2.0 mt -116.31 167.56 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.51 150.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.88 145.92 54.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -67.09 -39.43 86.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.761 0.234 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -108.7 129.06 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.804 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -89.19 116.16 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -103.03 98.2 8.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.07 105.83 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -89.06 150.22 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.67 129.9 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -52.89 117.73 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.8 tt0 -120.64 -60.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -122.34 176.45 16.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.28 -46.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -122.45 129.24 51.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -39.96 -69.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.39 33.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -155.56 149.82 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -101.49 144.91 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 mt -121.96 127.65 50.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -151.84 139.95 20.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.6 p -98.43 163.91 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.09 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.626 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.9 p90 -156.74 160.18 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -70.83 137.04 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 38' ' ' ASP . 5.3 t -117.14 -45.48 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 37' ' ' THR . 32.5 t70 -122.63 115.74 22.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -98.81 119.45 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 m -67.72 132.82 92.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.13 27.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.05 42.75 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.3 176.6 16.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.842 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -47.18 -52.58 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -57.6 -61.76 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.9 tpp -53.55 -25.28 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -85.92 -33.09 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.29 65.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 39.93 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.3 p -111.67 124.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.17 165.98 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 177.75 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 43.64 38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -110.23 118.12 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -66.28 131.29 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' A' ' 35' ' ' TYR . 5.0 mp -76.12 117.2 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 mm -83.61 -31.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 58' ' ' GLU . 1.6 pp20? -175.44 158.53 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG12 ' ND2' ' A' ' 60' ' ' ASN . 58.7 t -123.85 130.66 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' HG12 ' A' ' 59' ' ' VAL . 23.6 p30 40.22 38.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.06 45.51 8.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -146.36 114.8 6.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.68 115.43 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.03 4.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -41.11 -41.53 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -115.52 44.66 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 144.05 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -80.01 151.21 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 73' ' ' VAL . 15.7 t-160 -39.13 -56.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.5 pt-20 -43.53 -42.56 5.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 56.9 mm-40 -67.81 -33.4 74.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' VAL . 76.0 t -78.88 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 74' ' ' GLU . 2.9 p -33.95 -48.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.9 pt-20 -68.37 -46.91 68.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 30.3 mttp -59.33 -14.16 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG13 HG11 ' A' ' 83' ' ' VAL . 74.7 t -93.28 -59.7 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.8 pttt -60.0 -34.75 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 79' ' ' SER . 41.0 mtmt -70.03 -45.6 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.9 t -35.12 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 -123.22 3.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.2 m -104.16 -27.63 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -118.29 147.0 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.764 HG23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 m -134.77 163.19 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 11' ' ' LEU . 11.3 ttm -131.93 108.77 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -101.68 131.06 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . 13.9 tp -116.65 110.22 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.438 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -126.81 173.43 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.77 150.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.88 146.98 51.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -69.18 -30.53 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.738 0.224 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -113.64 133.26 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' CG ' ' A' ' 84' ' ' MET . 3.0 tm? -92.09 116.24 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.7 m -103.28 97.97 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -82.33 102.55 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 44' ' ' VAL . 2.2 mm? -87.11 145.36 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 82' ' ' ARG . 57.9 t -140.45 127.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -56.59 100.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -94.7 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.57 117.73 2.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.68 -102.26 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -103.88 145.21 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -46.64 173.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.47 39.32 2.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -144.91 150.55 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.4 m -113.98 138.61 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 34' ' ' VAL . 70.1 mt -112.14 138.67 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -157.32 140.27 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 p -103.04 155.09 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 25' ' ' LEU . 4.6 p -109.36 159.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.0 p90 -155.3 164.35 38.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.84 135.76 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -121.06 -37.99 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -126.39 115.48 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 45' ' ' ALA . 40.1 mm -107.26 90.12 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.8 m -41.39 130.91 2.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.07 44.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.73 2.287 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 54.93 48.24 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.12 -143.0 6.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.795 HG12 HD13 ' A' ' 14' ' ' LEU . 96.0 t -87.43 -48.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.089 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.627 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.39 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 tpp -51.37 -19.38 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -86.89 -31.39 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 13.51 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 43.92 95.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.7 p -113.54 110.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD11 ' OD1' ' A' ' 54' ' ' ASP . 4.2 pp -85.07 164.01 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -78.78 169.85 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 62.81 40.45 9.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.655 ' OD1' HD11 ' A' ' 51' ' ' LEU . 60.6 m-20 -117.32 116.21 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -68.12 120.53 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.7 mp -63.99 133.15 52.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.77 -27.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.1 pt-20 -175.57 142.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.904 HG23 HG21 ' A' ' 64' ' ' VAL . 78.1 t -112.44 120.47 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 79' ' ' SER . 4.3 t-20 61.72 31.2 18.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.81 22.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.551 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.9 tp10 -141.36 112.6 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.52 114.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.919 HG22 ' HA ' ' A' ' 58' ' ' GLU . 12.5 m -126.51 13.69 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.03 -43.9 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.68 35.74 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.59 145.24 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.0 m -81.92 147.31 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.657 ' O ' HG12 ' A' ' 73' ' ' VAL . 12.2 t-80 -46.18 -38.63 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -67.41 -30.27 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.79 -30.92 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.612 HG13 HG21 ' A' ' 59' ' ' VAL . 92.2 t -83.13 -58.26 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.7 p -37.57 -53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 73' ' ' VAL . 10.9 pt-20 -61.11 -44.97 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 8.0 mtpm? -57.92 -33.06 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG13 HG11 ' A' ' 83' ' ' VAL . 83.8 t -68.85 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.2 pttt -54.57 -34.91 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 6.5 mtmp? -73.69 -45.01 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.437 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.7 m -43.6 -22.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . 122.73 -121.76 4.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -111.45 -33.32 6.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.53 149.34 29.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.646 HG11 HG13 ' A' ' 76' ' ' VAL . 16.7 m -137.26 168.96 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.926 ' CG ' HD21 ' A' ' 11' ' ' LEU . 17.0 ttm -129.97 101.18 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 83' ' ' VAL . 69.0 m-85 -95.83 123.83 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 tp -112.04 110.92 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.57 HD22 ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -126.16 175.62 7.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 89' ' ' ASP . 45.9 t -111.9 154.48 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' N ' HG12 ' A' ' 88' ' ' VAL . 75.3 m-20 -65.02 125.88 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -49.07 -35.88 17.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.777 0.241 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.8 ptp180 -114.2 145.0 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.771 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.2 tm? -106.03 103.38 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 m -92.9 97.9 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.19 99.29 8.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.819 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -85.0 143.3 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.869 HG13 ' HB3' ' A' ' 82' ' ' ARG . 12.8 t -141.47 115.2 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -44.18 106.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 26.1 mt-10 -110.55 -41.07 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -118.08 174.91 15.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.95 -32.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' GLY . 60.1 p -159.66 152.06 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 78.5 m-85 -51.35 172.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.21 32.71 7.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 49.9 p90 -139.99 152.97 46.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 37' ' ' THR . 2.9 m -121.07 144.05 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 19.0 mt -108.22 146.02 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.599 ' CD ' HG21 ' A' ' 37' ' ' THR . 4.1 ptmt -149.53 158.53 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 p -112.83 150.26 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.46 -177.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 2.4 p90 -157.06 166.54 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.702 ' HB3' HD11 ' A' ' 39' ' ' ILE . 20.1 mmt -71.75 142.89 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CD ' ' A' ' 26' ' ' LYS . 15.3 t -151.79 163.01 40.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t0 43.79 43.77 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.702 HD11 ' HB3' ' A' ' 36' ' ' MET . 40.2 mm -53.1 116.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.3 m -59.62 136.98 89.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.83 137.74 35.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 46.01 53.73 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.5 177.13 17.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD13 ' A' ' 14' ' ' LEU . 46.1 t -46.97 -31.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -78.65 -63.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 tpp -55.94 -19.46 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -84.58 -34.32 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.16 -14.59 62.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.15 9.5 44.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 45' ' ' ALA . 1.6 p -86.98 137.78 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.4 pp -118.65 139.91 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.77 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 63.06 55.07 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' HD22 ' A' ' 87' ' ' LEU . 8.7 m-20 -124.58 107.39 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -53.49 108.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD23 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -59.52 127.01 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -94.99 -53.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.1 pt-20 -155.43 171.36 20.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG22 ' HD1' ' A' ' 85' ' ' PHE . 50.2 t -136.24 115.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.891 HD21 HG12 ' A' ' 83' ' ' VAL . 18.8 m-20 63.95 25.35 13.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.08 34.07 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.4 tp10 -134.85 118.87 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.93 106.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG21 HD23 ' A' ' 56' ' ' LEU . 16.1 m -112.43 6.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.66 -38.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -119.14 45.14 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -114.5 133.75 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -61.53 151.39 33.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.2 t-160 -52.66 -43.72 65.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.99 -24.35 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.16 -28.25 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.39 -54.63 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.4 p -42.4 -54.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.554 ' H ' HG13 ' A' ' 73' ' ' VAL . 15.2 pt-20 -56.39 -42.13 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.7 mtpm? -63.13 -27.85 69.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.79 -62.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 22.0 pttt -53.69 -39.97 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 31.6 mtmt -69.59 -37.59 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.47 ' CB ' HG12 ' A' ' 83' ' ' VAL . 4.5 p -33.93 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.49 -88.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -128.43 -48.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.869 ' HB3' HG13 ' A' ' 15' ' ' VAL . 8.5 ptm180 -118.92 153.51 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.891 HG12 HD21 ' A' ' 60' ' ' ASN . 27.4 m -136.82 173.12 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.771 ' SD ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -124.24 110.78 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 25.7 m-85 -104.91 117.01 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 17.5 tp -104.75 117.56 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -133.12 177.14 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 89' ' ' ASP . 26.0 t -121.75 155.51 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.1 m-20 -67.9 126.54 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 5.1 ptmt -50.14 -29.85 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 70.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HB3' HG22 ' A' ' 88' ' ' VAL . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.79 0.246 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.43 150.77 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -95.37 103.07 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.3 m -89.18 99.2 12.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -87.41 119.37 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' HD2' ' A' ' 85' ' ' PHE . 3.8 mm? -97.04 148.44 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HG2' ' A' ' 82' ' ' ARG . 46.2 t -139.12 112.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -53.65 115.64 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -117.1 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -127.62 120.22 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.54 -103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -83.77 150.36 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -51.37 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.61 -46.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -70.33 170.61 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -131.77 141.33 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.81 134.93 54.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HD3' HG21 ' A' ' 37' ' ' THR . 8.4 pttp -150.48 129.0 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 34' ' ' VAL . 21.9 p -80.19 144.22 33.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 HG22 ' A' ' 27' ' ' THR . 34.5 m -89.09 157.51 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.722 ' HA ' HD13 ' A' ' 56' ' ' LEU . 5.2 p90 -157.07 172.05 19.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -74.3 129.64 38.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.445 HG21 ' HD3' ' A' ' 26' ' ' LYS . 10.0 t -114.37 -43.1 3.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 37' ' ' THR . 25.3 t0 -120.38 115.12 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 ' HB2' ' A' ' 52' ' ' ALA . 51.4 mm -102.58 112.44 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -66.15 122.95 83.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.582 0.706 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 137.49 35.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.34 32.49 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.51 -152.25 11.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 14' ' ' LEU . 97.7 t -78.44 -43.84 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.75 -71.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.9 tpp -41.51 -31.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.7 -40.91 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.31 -16.71 62.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.0 27.04 11.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.417 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.28 133.03 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.91 150.35 39.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -57.88 153.96 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 73.65 44.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -128.65 104.44 7.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -56.63 125.59 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.1 mp -73.04 100.8 3.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mm -67.23 -34.63 70.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 64' ' ' VAL . 13.8 pt-20 -173.76 156.79 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 85' ' ' PHE . 50.8 t -130.01 137.42 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 48.48 27.51 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.24 59.97 2.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.86 114.99 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -52.81 113.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 58' ' ' GLU . 14.6 m -121.11 16.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -44.31 -47.12 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -118.84 47.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.06 163.66 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.5 p -94.07 150.14 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.588 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -45.97 -34.22 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . 43.0 mt-10 -69.09 -37.72 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.54 -38.55 87.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' LYS . 90.6 t -78.95 -63.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.6 p -36.62 -43.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 73' ' ' VAL . 13.2 mt-10 -63.54 -42.41 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mttp -64.48 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.25 -64.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -51.44 -41.73 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.7 mttt -64.31 -35.37 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.1 p -34.56 -43.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.8 -81.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.8 m -125.51 -43.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.657 ' HG2' HG22 ' A' ' 15' ' ' VAL . 46.7 mtm180 -118.62 154.75 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -131.44 170.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.781 ' HG3' HD11 ' A' ' 11' ' ' LEU . 33.1 ttm -134.23 100.84 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' HG22 ' A' ' 59' ' ' VAL . 97.3 m-85 -101.0 127.07 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 58' ' ' GLU . 18.3 tp -111.05 108.74 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -128.37 172.46 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 9' ' ' PRO . 57.9 t -113.22 155.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.69 128.15 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.6 pttt -51.61 -29.29 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 89' ' ' ASP . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -123.04 41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -92.6 99.61 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 111.48 0.98 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -100.83 -55.35 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.825 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -129.94 150.73 51.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.61 -125.68 0.99 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.7 tt0 -60.83 -58.35 19.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.76 175.28 8.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -104.17 133.98 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.703 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -86.02 115.71 23.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.8 m -102.03 97.83 8.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.64 105.27 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.818 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.78 143.49 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -135.51 111.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -41.38 129.12 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.8 -56.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.01 118.28 2.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.49 -92.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.4 t -116.18 155.39 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -50.21 176.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.88 15.22 63.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -123.42 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m -141.14 137.02 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.37 147.61 29.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 12.3 ptmt -152.07 146.38 25.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 64.7 p -97.15 126.28 42.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.627 HG21 ' OH ' ' A' ' 35' ' ' TYR . 22.6 t -102.25 137.45 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.22 -41.35 3.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -78.79 147.48 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -108.71 121.56 45.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.59 158.49 21.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -104.41 160.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.627 ' OH ' HG21 ' A' ' 28' ' ' VAL . 9.6 p90 -156.85 172.34 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 mmt -80.06 133.31 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.467 ' CB ' ' HD3' ' A' ' 26' ' ' LYS . 13.8 t -119.98 -43.17 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.72 113.1 25.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.01 91.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 41' ' ' PRO . 99.1 m -47.42 138.84 8.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 150.68 68.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.208 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.9 pm0 34.41 43.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.57 -166.31 16.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.818 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -62.18 -38.41 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -62.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.3 tpp -49.53 -23.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -81.76 -38.33 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.44 -23.73 64.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.65 33.11 6.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.86 123.79 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.26 167.43 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.42 178.16 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 47.37 37.35 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 14.1 m-20 -108.68 111.58 23.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.84 125.89 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 34' ' ' VAL . 11.5 mt -66.63 137.34 56.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 ' OE1' ' A' ' 65' ' ' GLU . 20.2 mm -110.1 -36.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.2 pt-20 -173.84 145.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG23 HG21 ' A' ' 64' ' ' VAL . 96.2 t -117.84 131.19 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 47.51 29.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.06 22.39 42.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -126.71 104.25 7.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -45.33 121.63 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 56' ' ' LEU . 6.2 m -118.55 5.65 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' OE1' HD13 ' A' ' 57' ' ' ILE . 5.2 mm-40 -38.06 -55.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.43 38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.9 135.41 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -69.95 144.52 52.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.0 t-160 -41.27 -47.2 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 66.4 mm-40 -64.25 -41.12 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.25 -63.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.3 p -42.56 -32.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -81.02 -37.66 28.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mtpm? -70.32 -27.94 64.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.07 -49.12 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -66.01 -39.86 90.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 40.9 mtmt -71.92 -41.51 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 78' ' ' LYS . 2.1 m -36.22 -39.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.31 -116.35 2.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.7 m -110.11 -33.85 6.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -117.32 157.92 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 15.7 m -148.9 159.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.703 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.8 ttm -116.75 104.62 11.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CE2' ' CG2' ' A' ' 83' ' ' VAL . 76.9 m-85 -98.3 130.04 44.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.6 tp -122.95 115.26 21.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -140.5 169.99 16.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.65 154.81 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.26 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -66.87 -31.16 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.95 -46.24 21.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 m -57.95 -50.7 72.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -66.32 175.41 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 80.3 mttt -134.06 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -116.84 174.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -64.33 95.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.7 t -96.98 116.84 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' LYS . 10.4 pt-20 -157.95 162.71 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -51.26 88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' GLU . 38.2 mttm -50.17 158.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 t -115.13 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.63 -158.32 29.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.18 37.29 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -116.2 134.75 54.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 m -140.67 143.48 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m 57.46 41.79 25.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -104.75 171.33 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.7 99.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -126.47 160.73 29.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -104.49 146.04 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.52 -139.55 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.522 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.7 tt0 -51.63 -58.29 11.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.79 176.5 6.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -108.69 129.01 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -84.23 113.91 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD13 ' A' ' 11' ' ' LEU . 16.1 m -100.07 97.93 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.1 100.33 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -83.48 150.37 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.8 t -143.94 122.79 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -53.77 117.09 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -121.69 -57.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.49 125.82 4.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 36.99 -111.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 t -86.41 145.27 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.446 ' HD1' HD12 ' A' ' 14' ' ' LEU . 23.1 m-85 -42.92 -73.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.965 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.74 -56.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 49.4 p90 -56.55 176.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 m -137.09 142.23 42.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 mt -112.99 132.24 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -145.13 144.32 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.3 p -100.29 136.13 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.77 148.72 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -82.05 41.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.48 30.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -134.42 -175.07 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -114.2 129.69 56.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.57 -134.32 46.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.15 163.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -155.49 148.21 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 13.6 mmt -59.65 128.63 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 38' ' ' ASP . 14.2 t -117.43 -41.54 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.446 ' N ' HG23 ' A' ' 37' ' ' THR . 5.3 t70 -116.51 116.08 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mm -108.04 89.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.7 m -37.86 127.52 0.97 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.504 0.668 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.67 36.07 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 55.72 38.18 29.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.99 -162.36 13.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD13 ' A' ' 14' ' ' LEU . 85.4 t -67.9 -43.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.65 -60.68 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.7 tpp -47.27 -22.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -35.63 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.19 -12.81 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.43 33.94 15.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 HD13 ' A' ' 87' ' ' LEU . 6.7 p -103.53 129.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.45 169.53 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -83.78 178.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' MET . 91.6 m-20 39.86 28.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 52' ' ' ALA . 7.2 m-20 -91.69 110.62 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -51.67 113.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD23 ' CG2' ' A' ' 64' ' ' VAL . 1.1 tp -66.93 130.19 42.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' CG2' HD23 ' A' ' 86' ' ' LEU . 9.3 mm -94.38 -52.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 62' ' ' GLU . 11.7 pt-20 -153.58 177.51 10.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' CE1' ' A' ' 85' ' ' PHE . 48.0 t -142.81 130.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 22.2 p30 43.77 31.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.75 41.13 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mm-40 -145.47 112.16 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.69 114.35 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.703 ' CG2' HD23 ' A' ' 56' ' ' LEU . 34.3 m -118.55 10.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -37.69 -56.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.37 41.69 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.11 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -67.25 151.55 47.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.483 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.0 t-160 -49.77 -36.85 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.22 -29.61 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.45 -39.53 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.408 HG13 HG21 ' A' ' 59' ' ' VAL . 58.3 t -73.17 -54.95 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 69' ' ' HIS . 9.4 p -47.18 -32.81 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.87 -32.43 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 27.5 mttp -71.83 -31.38 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 59' ' ' VAL . 97.7 t -73.53 -45.7 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -65.99 -52.84 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -56.37 -43.67 79.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 83' ' ' VAL . 8.5 t -34.26 -44.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.29 -109.38 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.6 m -110.97 -42.24 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -109.29 147.98 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 14' ' ' LEU . 15.6 m -135.37 169.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 11' ' ' LEU . 30.1 ttm -127.76 107.5 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 59' ' ' VAL . 68.3 m-85 -102.53 125.0 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD23 ' CG2' ' A' ' 57' ' ' ILE . 5.9 tp -116.48 115.21 25.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.22 174.23 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 9' ' ' PRO . 14.3 t -119.62 145.79 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -63.33 127.09 29.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.41 -39.74 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -45.12 -46.26 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.9 m -79.29 -50.89 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -49.31 131.76 20.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -82.12 41.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.7 ttp85 -51.63 165.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.99 124.15 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.9 t -117.63 117.56 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -127.51 112.06 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.49 141.28 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -81.82 112.33 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -46.9 -43.85 19.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.33 69.3 1.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.92 28.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -103.9 140.2 38.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.7 t -127.17 -52.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -78.41 158.01 28.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -39.94 -45.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.42 -141.51 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -101.21 176.35 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 t -138.5 131.97 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 31.68 0.54 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 8.4 mt-30 -61.59 -60.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.559 0.695 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.0 Cg_endo -69.74 170.28 16.91 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.0 mmp_? -97.53 151.18 20.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -106.58 109.9 21.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' N ' HD13 ' A' ' 11' ' ' LEU . 62.6 m -96.07 97.98 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.16 104.14 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 44' ' ' VAL . 1.8 mm? -89.37 147.52 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 82' ' ' ARG . 73.7 t -144.93 119.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 36.7 mttp -49.51 104.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HB2' HG22 ' A' ' 44' ' ' VAL . 39.3 mt-10 -101.7 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.78 133.32 7.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.2 -103.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -119.21 157.57 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 98.0 m-85 -48.96 167.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.36 42.18 1.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 36.8 p90 -151.15 151.41 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -128.62 146.94 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.49 150.83 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 13.2 ptmt -153.0 151.62 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -113.68 132.0 55.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -111.4 135.25 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -40.77 -62.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.74 56.27 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -160.06 170.23 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' GLY . 21.6 mtpp -119.4 164.36 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LYS . . . 36.69 -139.25 0.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.24 165.77 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -155.58 140.71 17.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.517 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.5 mmt -51.89 118.96 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.8 t -109.12 -44.79 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 37' ' ' THR . 10.3 t0 -107.49 109.25 20.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 36' ' ' MET . 41.0 mm -109.55 90.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 41' ' ' PRO . 84.1 m -44.22 138.67 3.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.691 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.74 135.95 31.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 45.02 48.31 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.23 -174.15 16.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.837 HG12 HD13 ' A' ' 14' ' ' LEU . 95.7 t -49.5 -38.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.849 0.357 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -75.52 -69.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpp -43.01 -36.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -68.37 -40.3 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -24.31 65.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.23 37.36 3.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.795 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.5 p -108.02 122.36 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.96 168.5 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.39 159.77 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.2 m-20 57.27 28.05 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 87.6 m-20 -84.8 108.74 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.67 102.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 HD21 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -53.67 140.99 27.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -111.89 -48.65 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.3 pt-20 -152.9 173.31 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' ND2' ' A' ' 60' ' ' ASN . 83.0 t -142.19 109.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.594 ' ND2' HG12 ' A' ' 59' ' ' VAL . 5.5 m-20 70.81 28.23 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.93 20.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 64' ' ' VAL . 59.4 mt-10 -137.81 117.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -59.51 116.81 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 58' ' ' GLU . 34.6 m -122.3 21.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.15 -57.71 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -13.37 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.58 160.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' GLU . 58.5 m -95.56 145.24 25.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.9 t-80 -39.13 -49.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -55.38 -41.82 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 66.6 mm-40 -64.21 -38.07 89.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG13 HG21 ' A' ' 59' ' ' VAL . 89.8 t -75.75 -65.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.8 p -39.69 -31.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.98 -44.05 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.6 -25.06 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -76.12 -49.1 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.48 -55.27 29.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 7.9 mtmp? -54.13 -44.05 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 8.3 t -34.14 -41.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.76 -105.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 m -119.83 -37.69 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 15' ' ' VAL . 61.2 mtm180 -111.86 150.97 29.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' A' ' 60' ' ' ASN . 3.2 m -140.1 163.36 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.568 ' HG3' HD11 ' A' ' 11' ' ' LEU . 29.9 ttm -120.7 107.74 13.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 46.8 m-85 -100.8 123.27 44.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 10' ' ' ARG . 16.7 tp -115.32 112.53 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.743 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.8 171.66 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.82 147.44 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.81 130.39 43.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -55.34 -28.17 52.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 2.2 pt-20 -84.48 -19.72 32.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 m -86.93 -43.65 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -67.03 128.01 34.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -30.32 70.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -69.48 95.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CD2' ' H ' ' A' ' 97' ' ' VAL . 8.3 t-160 -148.51 172.46 14.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.477 ' H ' ' CD2' ' A' ' 96' ' ' HIS . 25.7 m -111.35 172.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.51 139.72 53.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -84.0 136.53 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -102.49 162.48 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -145.43 167.83 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.3 154.36 16.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.409 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 146.15 59.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.8 t -87.15 -59.38 2.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.7 t -65.91 115.45 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -82.91 126.62 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -82.45 147.6 28.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.36 89.47 0.41 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 50.49 44.36 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -127.72 114.14 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.4 33.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.8 mt-30 -50.29 -60.04 6.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.2 Cg_endo -69.75 177.65 5.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.238 . . . . 0.0 112.392 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 86' ' ' LEU . 54.4 mtp180 -109.07 147.99 31.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.884 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.1 tm? -101.73 118.32 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' N ' HD13 ' A' ' 11' ' ' LEU . 85.7 m -106.61 109.15 20.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.53 104.53 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.855 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -85.46 139.7 31.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 82' ' ' ARG . 69.0 t -127.13 124.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -62.47 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.19 -58.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.1 125.42 6.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.57 -115.97 8.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 1.5 t -105.93 -68.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.875 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 14' ' ' LEU . 41.5 m-85 -166.08 -176.3 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.85 27.8 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 52.3 p90 -138.47 149.2 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 m -120.32 145.72 46.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.04 138.46 50.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -156.85 132.96 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 70.8 p -75.01 147.42 40.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -113.49 126.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -57.68 134.06 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.71 -29.33 3.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HB2' HG23 ' A' ' 28' ' ' VAL . 24.6 mtpp -97.78 141.51 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.47 158.57 16.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 170.46 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.63 166.76 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 55' ' ' HIS . 8.0 p90 -157.06 148.22 21.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.585 ' HB3' HD11 ' A' ' 39' ' ' ILE . 9.1 mmt -58.54 119.88 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.7 t -102.36 -44.58 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 37' ' ' THR . 17.6 t0 -115.52 115.8 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 36' ' ' MET . 50.1 mm -108.62 88.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' HD2' ' A' ' 41' ' ' PRO . 62.6 m -33.74 135.93 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.8 151.09 68.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 41' ' ' PRO . 57.2 mt-30 33.85 40.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.05 -173.29 19.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.855 HG12 HD13 ' A' ' 14' ' ' LEU . 91.1 t -56.37 -38.48 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.64 -68.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.2 tpp -46.4 -29.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -77.25 -37.11 53.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.38 66.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.48 32.98 3.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.491 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -106.18 127.41 61.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.861 0.362 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.03 158.78 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.69 164.24 26.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' MET . 3.7 m-20 52.43 29.33 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 23.6 t-160 -53.32 114.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -69.14 132.58 46.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.6 mm -98.19 -52.83 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.731 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.1 pt-20 -155.15 164.16 39.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' VAL . 48.2 t -128.36 112.48 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.604 HD21 HG12 ' A' ' 83' ' ' VAL . 3.1 m120 64.51 32.19 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 45.04 7.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' C ' ' HB2' ' A' ' 58' ' ' GLU . 6.9 tt0 -146.04 110.03 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 65' ' ' GLU . 5.3 t-20 -55.77 105.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 58' ' ' GLU . 27.7 m -117.1 2.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HG2' ' ND2' ' A' ' 63' ' ' ASN . 0.1 OUTLIER -57.52 -18.41 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.65 2.57 11.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.34 158.27 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 p -76.25 173.09 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 18.9 t-160 -70.89 -35.74 72.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.94 -25.95 61.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -27.55 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.82 -53.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 74' ' ' GLU . 3.7 p -39.68 -48.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' N ' HG13 ' A' ' 73' ' ' VAL . 12.4 pt-20 -63.96 -45.6 88.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 33.7 mttp -53.51 -44.99 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.96 -48.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -54.46 -40.81 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 15.9 mmtt -67.48 -31.9 72.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.73 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.5 p -34.14 -54.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.65 -88.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -121.28 -52.07 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.373 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 15' ' ' VAL . 35.0 mtt180 -113.82 158.49 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 79' ' ' SER . 14.2 m -139.46 162.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.884 ' CG ' HD21 ' A' ' 11' ' ' LEU . 20.9 ttm -121.03 101.23 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 62.0 m-85 -95.81 134.45 38.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 10' ' ' ARG . 9.7 tp -122.5 116.0 23.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -131.32 173.54 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 9' ' ' PRO . 61.7 t -116.96 148.61 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.95 117.24 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 14.2 pttm -39.27 -45.33 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.8 tm-20 -39.63 -45.84 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 93' ' ' ASP . 87.0 m -76.04 -52.33 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 92' ' ' THR . 1.0 OUTLIER -35.28 118.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -58.39 118.52 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -144.04 127.45 16.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -68.87 128.64 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.0 t -100.87 86.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -119.63 83.98 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -104.12 87.84 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 47.98 38.05 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 p -71.43 125.51 27.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.37 -162.3 29.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -41.64 4.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.8 t -60.92 129.27 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -85.16 113.64 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -80.27 150.56 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -105.91 158.27 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.8 141.99 4.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -131.4 -179.39 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -95.51 -63.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.15 43.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.3 tt0 -48.39 -58.26 8.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.1 Cg_endo -69.83 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.631 2.22 . . . . 0.0 112.3 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -120.42 131.4 54.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.744 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -84.4 115.77 22.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' HD13 ' A' ' 11' ' ' LEU . 15.4 m -102.93 97.93 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -84.96 103.04 13.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.956 HD13 HG12 ' A' ' 44' ' ' VAL . 2.0 mm? -89.56 140.0 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.62 ' O ' HG11 ' A' ' 44' ' ' VAL . 54.3 t -127.81 142.53 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.28 103.67 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -117.74 -38.04 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -115.09 176.56 16.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.86 -32.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.9 m -163.28 162.62 25.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 85.8 m-85 -52.14 174.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.35 36.58 4.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 42.1 p90 -146.11 163.24 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 m -128.03 160.62 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 34' ' ' VAL . 71.3 mt -132.61 136.63 46.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.88 143.85 22.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -100.34 128.21 46.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.43 120.63 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -50.52 114.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.35 -50.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -68.85 -177.03 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -129.07 119.88 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.87 -174.56 31.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.604 HG21 ' HB3' ' A' ' 25' ' ' LEU . 8.2 p -117.65 164.2 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 34' ' ' VAL . 3.8 p90 -156.97 150.13 23.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.557 ' HB3' HD11 ' A' ' 39' ' ' ILE . 23.0 mmt -61.19 128.89 38.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 38' ' ' ASP . 10.0 t -117.81 -43.12 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' N ' HG23 ' A' ' 37' ' ' THR . 4.5 t0 -111.6 112.84 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 36' ' ' MET . 45.4 mm -110.86 98.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.5 m -51.79 126.33 32.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.56 0.695 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.7 26.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.633 2.222 . . . . 0.0 112.365 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 59.73 39.6 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 -155.89 11.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.956 HG12 HD13 ' A' ' 14' ' ' LEU . 66.4 t -71.52 -39.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -74.91 -58.97 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 tpp -48.69 -22.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -82.92 -41.98 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.22 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 38.2 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.793 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 5.6 p -109.35 127.86 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -99.0 162.31 13.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -72.67 -176.16 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.1 OUTLIER 38.89 31.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 6.0 m-20 -96.29 108.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.13 108.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -56.69 129.22 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -97.82 -49.99 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.772 ' HA ' HG22 ' A' ' 64' ' ' VAL . 16.2 pt-20 -161.85 176.71 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.598 HG12 ' OD1' ' A' ' 60' ' ' ASN . 44.0 t -146.34 121.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.598 ' OD1' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER 61.52 26.03 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.67 43.6 7.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.689 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.5 mp0 -141.28 107.16 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.18 101.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 58' ' ' GLU . 24.8 m -110.1 16.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -43.51 -44.73 6.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.9 43.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -112.62 141.75 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -73.83 158.58 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG12 ' A' ' 73' ' ' VAL . 20.9 t-160 -56.18 -27.43 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -72.1 -32.03 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -36.59 65.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 88.8 t -75.69 -60.3 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 69' ' ' HIS . 7.5 p -37.01 -34.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -78.13 -48.61 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -54.9 -31.15 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.35 -60.58 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -51.47 -51.52 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 55.0 mttt -55.91 -44.39 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.8 t -34.15 -44.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.41 -106.91 0.88 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -110.68 -41.36 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -108.98 154.98 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.77 157.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.744 ' HG3' HD11 ' A' ' 11' ' ' LEU . 22.5 ttm -119.41 107.7 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 85.3 m-85 -104.2 125.07 50.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.1 tp -113.79 119.86 38.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.578 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.46 174.25 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 89' ' ' ASP . 61.0 t -118.65 158.71 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.514 ' N ' HG12 ' A' ' 88' ' ' VAL . 15.7 m-20 -66.87 127.84 34.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -50.49 -18.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -57.45 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -57.04 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -62.99 114.11 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 -65.94 91.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -115.1 131.48 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.6 172.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -131.14 111.0 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.87 123.6 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -94.66 147.23 23.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.8 p -120.52 81.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 60.41 146.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 149.01 66.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.8 t -71.39 136.11 47.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.7 t -97.03 -61.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.457 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -98.16 128.93 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 121.63 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.62 135.96 14.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -144.12 168.54 19.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -83.99 171.52 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -77.07 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.491 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -48.84 -60.01 5.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.955 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.2 Cg_endo -69.76 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -121.55 106.87 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.9 OUTLIER -68.5 111.71 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' N ' HD13 ' A' ' 11' ' ' LEU . 59.7 m -99.01 102.52 14.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.66 102.66 14.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -85.38 144.59 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -144.4 111.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 21' ' ' TYR . 17.4 mtpt -44.35 106.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 44' ' ' VAL . 3.0 tp10 -103.25 -62.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.39 126.48 6.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.24 -100.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -111.11 159.75 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 88.1 m-85 -53.92 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ALA . . . -117.28 33.0 5.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 44.2 p90 -145.12 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -120.73 159.2 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.88 128.15 43.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -131.4 144.12 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -95.14 143.4 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 t -109.69 153.18 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.153 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -81.72 82.99 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.09 -29.69 2.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -74.28 -175.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -119.03 155.19 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.68 -133.61 2.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.2 169.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.3 p90 -156.94 144.04 18.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.6 mmt -55.05 124.06 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -113.45 -38.88 4.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.52 116.68 29.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 36' ' ' MET . 38.8 mm -114.39 88.83 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -40.08 133.51 1.48 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.7 23.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 49.54 41.85 21.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.97 -168.35 14.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG12 ' CD1' ' A' ' 14' ' ' LEU . 40.0 t -53.6 -39.14 36.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -71.39 -72.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 tpp -42.86 -31.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -69.2 -42.95 75.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.07 -17.53 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.28 34.62 7.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -103.15 148.62 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.09 163.43 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.04 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 7.4 t0 47.24 29.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 8.6 m-20 -85.44 109.19 18.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 5.9 t-160 -53.99 114.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -65.27 127.93 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.8 mm -95.8 -51.1 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.717 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.4 pt-20 -157.82 171.66 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.718 HG23 HG21 ' A' ' 64' ' ' VAL . 90.5 t -136.23 122.22 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 HG12 ' A' ' 83' ' ' VAL . 3.2 m120 54.82 26.31 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.1 42.14 6.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -145.93 108.02 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -49.94 113.56 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.718 HG21 HG23 ' A' ' 59' ' ' VAL . 6.2 m -124.27 17.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -51.81 -34.5 40.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.13 -20.76 13.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -49.39 126.47 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -64.67 160.39 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 t-160 -49.01 -36.8 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.2 pt-20 -66.58 -42.22 87.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.5 mm-40 -61.96 -42.04 98.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' LYS . 89.2 t -76.49 -65.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.5 p -35.16 -35.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.3 mt-10 -77.85 -44.55 26.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 23.4 mttt -60.13 -26.16 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.42 -61.98 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 20.8 pttt -52.18 -37.78 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 44.4 mtmt -74.33 -36.82 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' LYS . 23.1 p -35.79 -44.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.03 -97.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.0 m -125.08 -42.43 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -109.13 153.51 23.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 HD21 ' A' ' 60' ' ' ASN . 0.4 OUTLIER -146.18 156.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.7 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.8 ttm -117.72 113.09 21.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 51.3 m-85 -108.95 124.27 50.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 tp -110.81 113.27 25.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -136.87 170.08 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 89' ' ' ASP . 16.7 t -115.84 160.34 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.8 m-20 -67.0 118.83 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -21.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.37 -45.23 48.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -73.1 -49.77 26.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.43 -55.92 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -54.26 -33.39 58.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' HG3' HG22 ' A' ' 97' ' ' VAL . 10.9 ptt180 -174.82 130.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.2 45.77 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.594 HG22 ' HG3' ' A' ' 95' ' ' ARG . 34.1 m -129.96 172.94 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -101.04 149.43 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -95.24 152.12 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -98.85 80.38 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.8 m -34.65 98.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.28 90.95 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.306 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t 72.45 40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 p -129.49 147.78 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -147.59 164.19 34.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.1 p -145.76 150.7 36.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.34 141.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -130.54 139.25 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -79.0 124.08 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.74 -102.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 13.2 tp60 -58.52 -59.82 12.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.74 173.59 10.73 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -108.64 123.34 48.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.5 tm? -82.18 112.98 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.4 m -100.13 99.22 9.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.49 110.95 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD13 HG12 ' A' ' 44' ' ' VAL . 1.4 mm? -95.72 142.35 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.17 131.43 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -61.92 99.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -99.76 -60.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -130.95 132.88 7.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.97 -107.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -88.98 165.7 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -66.14 -72.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.28 -48.48 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 39.7 p90 -68.11 173.37 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m -138.03 154.57 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HB3' HG21 ' A' ' 34' ' ' VAL . 64.9 mt -123.04 145.39 48.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -160.59 137.7 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.0 p -105.91 130.33 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 30' ' ' GLY . 58.9 t -100.1 124.77 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -47.86 -41.75 24.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -83.56 33.09 3.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -155.23 -177.39 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -130.44 130.92 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.92 -172.71 53.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' LEU . 3.2 p -119.01 161.0 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.7 p90 -155.72 147.72 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.557 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 24.0 mmt -60.01 130.76 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.5 t -120.28 -45.9 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 37' ' ' THR . 5.7 t70 -110.76 112.75 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.4 mm -109.72 84.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 41' ' ' PRO . 85.7 m -38.44 137.69 0.79 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.83 157.25 60.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 53.5 mt-30 36.07 37.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.34 -175.88 21.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 14' ' ' LEU . 96.7 t -60.11 -37.35 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -69.19 -69.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 tpp -42.75 -26.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -78.21 -37.28 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -68.34 -20.62 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.62 34.91 5.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.9 p -110.54 131.33 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.0 pp -102.57 167.52 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -73.1 162.74 29.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 57.85 49.65 11.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.609 ' HB3' HD22 ' A' ' 87' ' ' LEU . 23.0 m-20 -111.13 106.29 15.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -52.6 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.4 123.32 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -92.98 -49.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.989 ' HA ' HG22 ' A' ' 64' ' ' VAL . 11.6 pt-20 -162.17 172.89 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 72' ' ' VAL . 60.1 t -139.55 119.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 4.0 t-20 62.1 26.58 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.94 34.6 17.87 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.1 mt-10 -131.43 106.81 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.401 HD22 ' CD ' ' A' ' 65' ' ' GLU . 17.3 m120 -50.17 110.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' HA ' ' A' ' 58' ' ' GLU . 30.6 m -124.27 20.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' CD ' HD22 ' A' ' 63' ' ' ASN . 1.8 mp0 -48.26 -42.47 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 42.28 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -110.67 139.39 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -68.33 148.63 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.718 ' O ' HG12 ' A' ' 73' ' ' VAL . 11.3 t-160 -42.94 -48.72 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 7.6 pt-20 -52.07 -41.67 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 19.0 mt-10 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG13 HG21 ' A' ' 59' ' ' VAL . 94.1 t -82.91 -64.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.8 p -36.18 -41.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.57 -44.48 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' VAL . 33.0 mttt -59.19 -20.37 53.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG13 HG11 ' A' ' 83' ' ' VAL . 91.7 t -87.55 -62.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -27.71 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.3 mttm -75.41 -49.35 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 26.9 t -33.51 -43.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.94 -90.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t -132.5 -37.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -111.72 146.8 36.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.632 HG21 ' CZ ' ' A' ' 85' ' ' PHE . 32.1 m -140.31 174.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.744 ' CG ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -130.56 105.69 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.632 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 76.5 m-85 -98.64 122.37 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -111.0 122.4 47.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -143.03 176.74 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.15 149.46 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.5 118.32 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 50.5 pttt -38.5 -47.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 17.8 mt-10 -50.75 -47.37 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.2 m -63.56 -57.46 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -56.34 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -58.95 89.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -75.05 -43.27 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' VAL . 44.2 m170 -47.39 101.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' HIS . 93.0 t -36.19 125.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -124.58 123.7 40.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -162.9 144.33 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 100' ' ' LYS . 8.2 tmtm? -138.15 126.64 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.57 147.71 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.29 152.77 24.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 117.51 5.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -115.16 129.11 56.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -148.95 162.36 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -71.47 121.06 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -111.4 110.15 20.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.67 56.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.8 p -119.45 121.13 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -47.97 119.19 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.05 -136.81 6.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.496 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 5.3 mm100 -63.81 -60.07 9.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.661 ' HG2' HD11 ' A' ' 86' ' ' LEU . 53.6 Cg_endo -69.73 -176.74 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -104.79 122.94 46.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -81.71 111.93 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.2 m -96.53 109.04 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -94.77 107.02 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -91.65 143.93 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.968 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 82' ' ' ARG . 44.5 t -139.21 120.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -53.69 122.98 10.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -122.03 -64.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.8 133.03 6.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 42.28 -113.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 p -83.98 171.37 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -68.26 -71.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.6 34.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -155.84 164.44 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -129.78 163.12 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 16.5 mt -133.83 139.32 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 16.0 ptmt -137.38 155.04 49.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 69.8 p -112.07 129.28 56.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -106.8 136.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -68.62 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.61 -32.77 17.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -106.73 -177.74 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -134.98 157.32 47.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.52 149.24 3.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 56' ' ' LEU . 2.7 m -92.18 159.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -155.32 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -78.48 136.0 37.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.1 t -123.62 -47.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 37' ' ' THR . 32.7 t70 -117.06 104.2 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 52' ' ' ALA . 47.1 mm -93.6 107.5 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.2 m -60.16 129.38 88.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' GLN . 54.3 Cg_endo -69.74 161.2 46.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.653 2.236 . . . . 0.0 112.377 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' PRO . 27.6 pt20 34.15 46.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 47' ' ' ARG . . . -124.35 -163.14 11.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 14' ' ' LEU . 73.5 t -69.7 -46.98 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -62.97 -64.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 tpp -45.2 -32.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 14.4 mmp_? -79.26 -36.41 39.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.98 29.74 11.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 2.8 p -106.45 129.12 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.9 pp -106.44 169.62 8.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.668 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -79.66 170.79 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.38 38.47 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 36.2 m-20 -116.23 113.14 22.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -60.27 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.912 HD12 HG23 ' A' ' 34' ' ' VAL . 13.6 mt -75.77 132.23 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -105.31 -41.64 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -173.3 144.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG12 ' ND2' ' A' ' 60' ' ' ASN . 87.4 t -116.37 132.6 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' ND2' HG12 ' A' ' 59' ' ' VAL . 20.1 p30 38.05 34.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.11 33.94 13.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.1 mm-40 -132.63 99.76 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -51.93 113.33 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 62' ' ' GLU . 16.5 m -123.38 30.46 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.32 -46.81 85.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.39 31.47 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.1 165.47 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 8.5 m -96.36 144.5 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 6.2 t-160 -38.18 -43.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.9 pt-20 -60.64 -42.59 97.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' SER . 56.6 mt-10 -61.63 -40.94 96.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 34' ' ' VAL . 84.6 t -70.94 -64.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.649 HG22 ' HD2' ' A' ' 77' ' ' LYS . 10.3 p -38.43 -35.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.16 -47.44 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -58.09 -34.35 70.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.05 -51.5 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HD2' HG22 ' A' ' 73' ' ' VAL . 39.3 mtpt -56.79 -43.95 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.0 mttm -64.34 -39.87 94.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.563 ' CB ' HG12 ' A' ' 83' ' ' VAL . 27.5 t -34.41 -46.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.08 -102.4 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -113.58 -45.54 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.7 mtm180 -109.5 149.94 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.563 HG12 ' CB ' ' A' ' 79' ' ' SER . 13.8 m -135.96 170.65 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.666 ' SD ' HD21 ' A' ' 11' ' ' LEU . 23.4 ttm -131.92 109.21 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 59' ' ' VAL . 83.2 m-85 -103.22 127.31 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 9' ' ' PRO . 18.7 tp -118.74 111.58 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.28 172.38 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.21 145.32 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.54 129.33 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -44.03 -42.23 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -40.25 -43.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.4 m -84.86 -46.65 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -42.99 113.3 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -41.74 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -87.48 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.452 ' C ' ' CD2' ' A' ' 96' ' ' HIS . 2.5 t-160 -107.76 131.37 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.54 169.96 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -171.77 164.68 6.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -149.55 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -108.12 162.45 14.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -102.67 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.82 83.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.03 2.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 t -58.25 99.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.2 m -104.95 129.38 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -56.9 120.35 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -122.03 143.56 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 79.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 t -72.32 -61.01 1.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -48.87 140.54 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.05 -92.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -51.89 -59.94 7.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.78 179.48 3.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' HD12 ' A' ' 86' ' ' LEU . 6.3 mmp_? -111.14 154.77 23.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.27 122.76 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.722 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.4 m -110.34 97.98 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -85.63 108.87 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -97.62 140.88 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.711 HG13 ' HG2' ' A' ' 82' ' ' ARG . 91.5 t -136.66 127.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -51.43 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -105.08 -52.98 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -116.1 176.5 16.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.59 -41.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.6 t -136.6 137.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -38.57 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.73 37.68 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -160.35 165.25 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -137.27 143.34 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -116.64 145.72 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -97.93 150.35 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG21 ' OH ' ' A' ' 35' ' ' TYR . 30.7 t -128.95 136.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.94 145.66 49.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.65 -49.8 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -77.47 141.16 39.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -107.66 120.94 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.71 157.55 10.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG23 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.32 159.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' A' ' 28' ' ' VAL . 4.2 p90 -156.97 170.68 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.7 mmt -79.73 140.49 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -126.69 -32.52 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -128.12 118.04 22.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.08 117.42 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.6 m -68.19 128.39 93.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 128.61 16.27 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 70.3 35.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.14 -173.47 18.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 14' ' ' LEU . 31.1 t -60.22 -52.89 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.791 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -60.28 -61.94 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpp -42.46 -29.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -90.53 -30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.45 23.22 11.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.791 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.0 p -104.38 136.61 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.59 157.78 31.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 162.08 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 61.51 50.04 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' HB3' HD22 ' A' ' 87' ' ' LEU . 26.1 m-20 -124.4 108.0 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -61.41 126.68 28.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 34' ' ' VAL . 10.9 mt -68.2 136.04 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.1 mm -108.08 -44.34 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -170.12 142.42 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 85' ' ' PHE . 55.8 t -114.14 128.75 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.86 33.06 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.25 31.04 35.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.823 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.2 mt-10 -131.46 91.73 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' GLU . 20.0 t-20 -35.45 122.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 62' ' ' GLU . 30.6 m -128.16 16.39 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -60.3 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.15 28.77 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.5 138.85 31.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -71.48 167.43 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.954 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -62.69 -47.07 85.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.443 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 5.3 mm-40 -60.51 -16.27 35.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.73 -37.53 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' VAL . 98.4 t -79.02 -57.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -34.96 -48.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 7.4 pt-20 -68.5 -46.61 69.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 31.8 mttp -55.05 -27.3 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -78.51 -61.92 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -54.76 -28.76 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' SER . 22.9 mttm -81.35 -49.38 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.7 m -35.11 -38.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.17 -137.37 9.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.24 -37.81 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.711 ' HG2' HG13 ' A' ' 15' ' ' VAL . 64.1 mtt180 -110.22 148.9 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 85' ' ' PHE . 16.6 m -139.1 168.32 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.9 ttm -129.25 101.81 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.6 m-85 -95.05 132.06 40.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.3 tp -120.96 107.79 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -129.3 167.94 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 146.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -64.51 151.66 43.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 32.4 pttt -65.96 -53.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 12.2 mt-10 -48.24 -23.57 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -85.54 -61.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.14 124.95 21.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 96.56 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -46.89 137.18 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -75.73 124.11 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.3 t -48.26 135.19 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -115.16 -60.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -53.26 177.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -97.9 143.59 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -120.91 168.33 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.36 174.2 15.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.17 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -107.83 110.37 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.4 t -139.41 122.44 16.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.6 m -108.64 134.15 51.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 70.8 m -35.08 116.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.18 143.84 9.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -114.01 -50.28 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -41.55 138.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -179.98 -88.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.2 mt-30 -34.95 -60.1 0.57 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.5 Cg_endo -69.78 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -111.18 119.81 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.668 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.8 OUTLIER -79.72 115.81 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.601 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -101.55 97.99 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.21 98.63 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.002 HD13 HG12 ' A' ' 44' ' ' VAL . 1.5 mm? -84.59 144.96 28.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 t -138.38 118.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -47.62 105.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -106.89 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.32 119.04 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 43.43 -107.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -101.41 149.82 23.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -47.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.55 41.47 2.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 85' ' ' PHE . 11.3 p90 -148.32 150.26 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.8 m -114.99 162.75 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 34' ' ' VAL . 63.1 mt -129.89 142.3 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' CD ' HG21 ' A' ' 37' ' ' THR . 17.4 ptmt -160.13 135.55 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -103.72 129.64 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 30' ' ' GLY . 46.7 t -92.44 137.47 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -50.68 -39.44 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -91.79 29.9 7.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -151.02 139.13 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -95.32 119.38 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.62 -161.94 16.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 25' ' ' LEU . 1.9 p -130.02 162.38 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.9 p90 -156.48 148.35 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' ASP . 22.5 mmt -60.54 127.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 38' ' ' ASP . 8.9 t -117.47 -49.29 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.563 ' N ' HG23 ' A' ' 37' ' ' THR . 12.4 t70 -105.45 110.8 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.17 93.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.7 m -40.49 126.95 1.81 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.42 21.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 60.87 38.41 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.68 -175.13 16.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.554 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.002 HG12 HD13 ' A' ' 14' ' ' LEU . 87.8 t -51.73 -47.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.88 -69.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.5 tpp -43.77 -34.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -72.28 -39.42 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.7 68.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.68 2.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.681 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 9.3 p -112.82 129.91 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 pt? -101.38 171.08 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.46 167.2 22.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' MET . 2.8 m-20 54.87 43.7 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 28.2 m-20 -104.22 104.56 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -51.62 103.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD23 ' CG2' ' A' ' 64' ' ' VAL . 0.7 OUTLIER -54.79 131.0 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.45 -49.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -156.24 173.88 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 72' ' ' VAL . 86.8 t -141.29 112.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.625 ' ND2' HG12 ' A' ' 59' ' ' VAL . 51.1 m-20 68.51 30.33 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.04 46.56 7.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.864 ' O ' HG13 ' A' ' 64' ' ' VAL . 2.2 tp10 -150.6 116.66 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -51.69 113.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.8 m -126.91 25.91 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.56 -44.31 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.8 -4.64 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -70.89 148.63 47.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 m -83.56 162.4 20.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 73' ' ' VAL . 16.7 t-160 -52.04 -43.63 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.57 -38.58 75.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.03 -40.38 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.866 HG13 HG21 ' A' ' 59' ' ' VAL . 84.0 t -72.44 -62.23 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 12.1 p -41.44 -44.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.4 mt-10 -68.5 -33.15 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.5 mttp -73.7 -21.85 60.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HG11 ' A' ' 83' ' ' VAL . 67.0 t -82.35 -67.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -47.45 -38.96 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -71.73 -34.38 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 p -40.31 -37.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.03 -95.85 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -124.08 -44.62 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -109.2 156.76 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG12 ' OD1' ' A' ' 60' ' ' ASN . 2.7 m -143.7 171.19 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.668 ' HG3' HD11 ' A' ' 11' ' ' LEU . 20.6 ttm -131.53 109.17 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 71.3 m-85 -105.48 125.01 50.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.4 116.32 28.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -140.1 175.15 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 9' ' ' PRO . 5.3 t -122.55 157.92 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.55 163.46 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -83.92 -36.8 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.8 -38.22 84.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 26.3 m -71.61 -61.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' THR . 4.4 t0 -35.92 -61.23 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -98.91 109.5 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 97' ' ' VAL . 8.4 mpt_? -70.38 120.4 15.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -67.3 87.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 95' ' ' ARG . 3.5 m -131.27 137.85 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -142.43 143.07 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -115.75 101.12 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -55.93 120.23 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.5 t -143.12 148.76 37.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.18 132.16 11.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' SER . 54.0 Cg_endo -69.7 1.79 4.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' PRO . 3.4 t -35.86 121.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.7 p -138.18 112.71 8.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -85.93 48.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -59.64 169.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.62 -145.04 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 m -93.03 40.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -133.29 148.84 51.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.98 -53.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.8 mt-30 -60.0 -60.18 11.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.73 177.33 5.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -107.19 146.61 31.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -95.87 113.33 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 61.9 m -103.17 97.97 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -89.08 111.59 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.966 HD13 HG12 ' A' ' 44' ' ' VAL . 1.7 mm? -95.13 137.57 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.734 HG13 ' CG ' ' A' ' 82' ' ' ARG . 22.0 t -128.62 118.72 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -45.29 105.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.56 -59.55 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 120.45 3.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.47 -98.6 0.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 6.7 m -119.81 -62.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 20' ' ' SER . 20.9 m-85 -167.69 -177.94 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.27 35.61 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 85' ' ' PHE . 51.1 p90 -148.53 156.17 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -125.83 150.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 20.5 mt -117.02 147.39 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 142.13 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.2 p -97.74 138.43 35.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.39 125.75 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.11 141.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.91 -45.92 3.6 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -71.6 145.31 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -89.81 154.5 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.07 -144.37 3.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.67 174.58 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.2 p90 -157.03 146.09 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' ASP . 17.6 mmt -60.56 126.7 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.6 t -116.88 -42.49 2.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 37' ' ' THR . 3.3 t70 -109.62 112.41 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 46' ' ' MET . 39.1 mm -103.48 90.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' ILE . 84.2 m -34.33 131.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.75 127.15 14.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 49.53 36.09 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.37 -140.29 11.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.966 HG12 HD13 ' A' ' 14' ' ' LEU . 98.4 t -85.8 -52.83 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.721 ' HB1' HG11 ' A' ' 50' ' ' VAL . . . -63.38 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.677 ' HB2' HG22 ' A' ' 39' ' ' ILE . 12.7 ttm -40.95 -37.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.9 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.22 -19.43 65.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.44 29.94 7.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.721 HG11 ' HB1' ' A' ' 45' ' ' ALA . 3.4 p -100.04 131.26 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.5 mt -93.99 162.27 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.6 170.53 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER 47.57 26.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 87' ' ' LEU . 26.4 m-20 -85.6 103.33 14.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' TYR . 4.1 t-160 -49.68 113.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.729 HD12 HD21 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.04 142.69 58.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.67 -51.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' HA ' HG22 ' A' ' 64' ' ' VAL . 15.0 pt-20 -161.69 168.56 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG12 HD22 ' A' ' 60' ' ' ASN . 48.2 t -130.89 127.28 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.645 HD21 HG12 ' A' ' 83' ' ' VAL . 70.3 m-80 51.74 39.2 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 45.44 51.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.857 ' O ' HG13 ' A' ' 64' ' ' VAL . 38.2 mt-10 -142.84 109.86 5.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -50.34 115.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.857 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.2 m -126.98 11.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.75 -53.42 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -89.77 -16.67 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.05 137.43 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -71.21 165.59 23.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.7 t-160 -59.24 -44.39 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -59.2 -29.31 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' OE1' ' CA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -75.47 -37.1 60.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 84.0 t -76.78 -60.11 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.8 p -33.82 -54.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.585 ' N ' HG13 ' A' ' 73' ' ' VAL . 16.5 pt-20 -64.16 -43.68 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.8 mttp -56.43 -33.28 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.38 -62.21 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.55 -34.53 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 79' ' ' SER . 40.6 mttt -68.34 -46.04 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.638 ' CB ' HG12 ' A' ' 83' ' ' VAL . 34.5 t -34.23 -41.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.61 -119.8 3.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -91.28 -53.48 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.734 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -109.53 159.56 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.645 HG12 HD21 ' A' ' 60' ' ' ASN . 23.2 m -138.01 168.44 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.564 ' HG3' HD11 ' A' ' 11' ' ' LEU . 26.3 ttm -123.86 101.26 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 83' ' ' VAL . 53.4 m-85 -97.04 122.43 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.27 118.12 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -140.83 172.3 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 9' ' ' PRO . 3.3 t -118.79 155.77 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.75 159.77 15.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -79.34 -32.62 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.27 -48.08 58.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -59.1 -59.62 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.74 139.5 58.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -131.17 84.91 2.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -103.09 131.9 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -72.49 85.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 98' ' ' GLU . 45.4 t -103.08 156.27 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.8 pp20? -155.12 110.26 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' GLU . 24.3 pt20 -34.85 -40.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -174.82 154.94 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.8 m -69.98 112.42 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.45 146.2 5.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 118.62 5.79 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.692 2.262 . . . . 0.0 112.35 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.7 p -83.78 66.53 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.6 m 37.9 47.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -103.3 123.2 46.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -118.32 123.93 46.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.76 176.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -73.91 98.38 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -158.7 159.39 35.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.81 -73.69 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 21.7 mt-30 -55.09 -60.07 9.15 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.75 177.72 5.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.282 . . . . 0.0 112.332 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 mmm180 -106.59 140.44 39.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 84' ' ' MET . 2.8 tm? -96.08 116.3 28.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -102.25 98.23 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.82 104.15 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 ' CD1' HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -93.68 144.06 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.0 t -142.32 118.66 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -48.94 118.65 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.16 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.26 137.62 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 45.73 -110.43 0.46 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 m -117.87 162.82 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -55.84 162.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.22 31.24 6.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 36' ' ' MET . 17.7 p90 -145.51 150.35 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 m -130.1 143.67 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 31.4 mt -106.36 157.67 17.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -162.81 151.25 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 p -103.23 126.25 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.02 149.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.41 100.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.76 -48.75 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 165.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -126.83 133.53 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.86 152.11 24.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 69' ' ' HIS . 69.1 t -98.26 145.84 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 3.7 p90 -153.59 144.53 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 23' ' ' PHE . 14.8 mmt -59.1 132.49 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 38' ' ' ASP . 15.1 t -116.52 -41.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 37' ' ' THR . 20.9 t70 -112.09 114.39 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.3 mm -110.35 87.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -41.27 129.59 2.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.12 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 56.1 39.18 30.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.83 179.29 16.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG12 ' CD1' ' A' ' 14' ' ' LEU . 77.6 t -48.8 -30.13 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.99 -68.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpp -46.87 -24.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -36.1 59.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.93 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.5 40.91 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 87' ' ' LEU . 7.2 p -112.57 125.75 69.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.645 HD13 ' NZ ' ' A' ' 90' ' ' LYS . 61.1 mt -91.85 159.32 15.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.76 164.01 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.4 m-20 55.86 25.39 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.11 114.61 25.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -55.81 112.95 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -67.04 105.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.45 -54.18 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.89 ' HA ' HG22 ' A' ' 64' ' ' VAL . 6.4 pt-20 -155.2 172.7 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.659 HG12 ' ND2' ' A' ' 60' ' ' ASN . 96.4 t -138.15 106.82 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.659 ' ND2' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER 69.44 36.9 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 36.93 45.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.5 mt-10 -133.68 103.82 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -50.37 107.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 58' ' ' GLU . 35.0 m -121.78 13.62 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' VAL . 23.3 mt-10 -38.47 -47.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -112.05 43.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -100.73 163.09 12.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.2 t -94.75 155.7 16.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HG21 ' A' ' 34' ' ' VAL . 4.6 t-160 -50.4 -35.14 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.18 -29.0 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.68 -33.02 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 59' ' ' VAL . 71.2 t -83.47 -55.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.1 p -41.52 -36.07 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.6 -44.52 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 23.7 mttp -60.74 -23.17 64.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 59' ' ' VAL . 63.4 t -86.05 -48.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -66.78 -48.45 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 37.9 mtmt -59.49 -43.3 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.0 t -35.15 -42.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.26 -114.25 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -100.68 -49.6 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -109.09 160.58 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 HG13 ' A' ' 76' ' ' VAL . 2.6 m -140.95 165.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.591 ' CG ' HD21 ' A' ' 11' ' ' LEU . 25.2 ttm -119.67 107.65 13.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 63.1 m-85 -101.63 127.88 48.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 10' ' ' ARG . 13.1 tp -119.26 114.0 21.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -132.95 172.39 12.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.12 148.74 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.13 119.21 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.645 ' NZ ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -47.21 -24.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -69.03 -37.69 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.4 m -78.83 -56.0 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -69.04 134.75 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.878 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -67.71 124.8 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -85.01 140.38 31.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -86.72 89.17 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.7 m -54.83 129.86 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -129.08 -38.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -89.05 142.88 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -92.53 177.33 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -117.46 113.91 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.2 124.77 1.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 155.25 66.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 t -120.58 -57.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 m -59.22 107.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 m -64.76 114.64 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -160.39 146.69 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 76.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -105.13 106.9 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -106.63 148.45 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.11 -51.3 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.69 154.21 78.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.21 22.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -101.24 129.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -84.76 103.28 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.36 99.58 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -82.54 99.37 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.779 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -87.41 141.87 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 82' ' ' ARG . 23.2 t -140.46 135.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -60.24 119.8 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -126.85 -44.9 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -124.83 176.23 17.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -36.7 -48.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -128.33 138.14 52.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -44.05 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.63 35.46 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 10.2 p90 -158.03 153.03 25.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 m -124.35 159.25 30.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -128.12 126.9 42.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HD3' HG21 ' A' ' 37' ' ' THR . 30.2 pttt -127.02 153.8 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.562 HG22 HG12 ' A' ' 34' ' ' VAL . 48.9 p -100.24 147.34 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.1 135.59 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -55.19 142.24 32.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.21 -47.4 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -58.47 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -122.79 156.26 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.72 -134.25 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 27' ' ' THR . 17.0 m -138.54 -179.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.0 160.04 38.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 87' ' ' LEU . 17.9 mmt -64.23 128.04 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.701 HG21 ' HD3' ' A' ' 26' ' ' LYS . 1.3 t -142.47 161.97 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 49.59 44.22 24.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 52' ' ' ALA . 24.4 mm -51.56 118.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.5 m -66.78 121.21 76.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.38 13.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.258 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 71.22 50.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.84 -173.63 12.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.779 HG12 HD13 ' A' ' 14' ' ' LEU . 61.3 t -54.86 -36.09 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -73.08 -70.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 tpp -44.79 -26.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -83.52 -38.51 21.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.7 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 31.06 5.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.653 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 3.7 p -101.35 125.74 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.9 mt -94.02 144.93 25.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 39' ' ' ILE . . . -64.53 164.13 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.33 33.36 22.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 1.2 m-20 -98.31 109.61 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -54.44 110.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.697 HD12 HD21 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -58.26 132.85 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.97 -50.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -159.83 176.3 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -143.0 124.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.831 HD21 HG12 ' A' ' 83' ' ' VAL . 59.7 m-20 52.3 32.52 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.96 35.13 22.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 64' ' ' VAL . 50.3 mt-10 -131.41 109.36 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.365 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -58.75 109.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 62' ' ' GLU . 3.7 m -125.91 17.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -39.59 -42.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -121.69 48.3 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.56 144.25 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.1 m -62.1 149.61 40.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' O ' HG12 ' A' ' 73' ' ' VAL . 17.2 t-160 -56.56 -24.58 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.807 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 42.4 mm-40 -84.63 -22.44 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.26 -38.49 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.8 -57.33 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.3 p -38.16 -48.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' N ' HG13 ' A' ' 73' ' ' VAL . 15.0 pt-20 -69.55 -44.53 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 25.5 mttm -55.73 -38.06 69.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.05 -45.95 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -63.96 -53.19 54.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.3 mttm -48.64 -40.74 28.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.602 ' CB ' HG12 ' A' ' 83' ' ' VAL . 48.1 t -33.87 -48.0 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 -107.72 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 m -99.25 -50.8 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.604 ' HB3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -114.13 164.81 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG12 HD21 ' A' ' 60' ' ' ASN . 5.6 m -140.86 167.75 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.851 ' HG3' HD11 ' A' ' 11' ' ' LEU . 27.3 ttm -126.43 113.05 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -107.08 132.4 53.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 111.31 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.85 176.49 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -110.0 152.51 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.5 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 -23.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.1 -46.27 82.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 91.5 m -92.24 -45.32 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' THR . 42.8 t0 -34.8 -60.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -90.3 93.98 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -101.68 87.8 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 96' ' ' HIS . 5.8 p80 -90.96 109.7 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.5 m -89.8 174.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 63.72 46.05 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 157.21 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -65.38 105.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -85.5 135.63 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -164.62 73.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -39.23 6.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -139.3 109.31 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -110.91 135.14 51.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -106.27 137.22 44.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -91.77 152.27 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.38 146.26 18.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -79.93 139.56 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -164.77 151.75 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.13 83.61 0.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 6.2 pm0 -64.7 154.13 85.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.74 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -114.7 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD21 ' CG ' ' A' ' 84' ' ' MET . 1.6 tm? -84.19 113.81 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.541 ' N ' HD13 ' A' ' 11' ' ' LEU . 14.5 m -100.59 100.31 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -87.08 103.57 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -89.81 136.1 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 82' ' ' ARG . 92.3 t -129.24 132.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -59.17 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -103.06 -37.41 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -131.82 175.09 19.89 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.51 -48.94 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -125.33 137.09 54.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -42.32 -64.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.33 30.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -151.01 151.11 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -122.83 144.44 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.88 142.37 46.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 10.6 ptmt -146.19 152.08 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -104.36 145.63 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.92 132.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -64.84 106.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.38 -47.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -76.38 179.14 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -112.47 156.11 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.27 -144.15 3.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.73 171.44 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 3.8 p90 -157.02 147.93 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 18.8 mmt -61.73 134.36 56.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.0 t -122.21 -40.63 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 37' ' ' THR . 8.4 t0 -116.21 116.24 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.43 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.0 m -45.17 126.39 5.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.22 32.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 58.36 51.03 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.33 -160.94 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.757 HG12 HD13 ' A' ' 14' ' ' LEU . 87.2 t -67.05 -42.26 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.11 -63.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.2 tpp -49.44 -22.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -88.13 -33.48 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.86 -22.37 63.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.62 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.652 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 12.5 p -106.09 138.53 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -113.58 170.92 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 37' ' ' THR . . . -75.33 165.61 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.3 m-20 51.89 50.61 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 16.6 m-20 -114.54 106.73 14.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -50.59 100.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -55.66 130.76 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -96.69 -51.22 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.625 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.5 pt-20 -157.21 169.32 25.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' HD21 ' A' ' 56' ' ' LEU . 49.2 t -137.77 110.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' OG ' ' A' ' 79' ' ' SER . 3.5 t-20 71.44 29.78 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.55 41.92 9.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' VAL . 21.7 tt0 -143.49 115.65 8.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.8 109.3 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' HA ' ' A' ' 58' ' ' GLU . 23.0 m -118.53 19.72 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -49.82 -40.0 40.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -122.21 41.67 3.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.07 136.59 43.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -61.61 143.81 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.477 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.3 t-160 -44.45 -40.79 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.0 -34.52 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.53 -43.28 81.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' LYS . 99.2 t -74.12 -61.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 69' ' ' HIS . 13.2 p -38.9 -38.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -73.94 -43.2 59.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.1 mttp -61.65 -21.94 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.21 -57.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -62.08 -30.76 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 79' ' ' SER . 24.3 mttm -73.17 -43.47 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 78' ' ' LYS . 3.7 t -34.01 -43.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 -101.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.4 m -117.03 -44.43 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' HG13 ' A' ' 15' ' ' VAL . 25.7 mtt180 -109.0 155.64 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.527 HG23 ' HB2' ' A' ' 14' ' ' LEU . 8.5 m -140.91 170.09 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.693 ' CG ' HD21 ' A' ' 11' ' ' LEU . 22.3 ttm -130.8 105.49 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 83' ' ' VAL . 78.4 m-85 -99.49 128.49 45.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -120.81 114.77 22.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -133.86 175.67 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.09 146.36 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.2 125.78 25.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 24.1 pttm -42.33 -44.7 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 15.3 mt-10 -62.77 -48.28 79.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.1 m -57.01 -48.78 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -50.56 65.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -88.14 79.38 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -101.03 97.44 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -157.84 140.66 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.11 107.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -149.3 135.38 19.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -171.56 139.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -69.11 156.47 38.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.8 p -117.61 141.09 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.13 127.63 3.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.36 24.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' SER . 94.1 p -110.61 -43.64 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' SER . 1.1 t 34.36 43.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -75.86 116.59 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -83.37 88.9 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.47 -84.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -71.6 178.78 3.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t -106.44 116.07 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.83 -44.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 3.8 mt-30 -81.06 155.86 72.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 54.1 Cg_endo -69.73 177.79 5.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -112.36 129.74 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.1 tm? -81.78 105.45 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.54 100.02 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.9 98.66 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.853 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -84.52 136.49 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 82' ' ' ARG . 47.0 t -140.97 104.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.8 ptpt -42.63 142.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.46 -73.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.81 117.98 4.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.01 -68.77 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 p -149.71 -176.52 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 3.7 m-85 -66.88 -174.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.48 44.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.501 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.4 p90 -157.44 160.26 38.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -130.94 147.26 52.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -112.41 159.76 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD3' ' CB ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -159.62 154.78 25.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 69' ' ' HIS . 72.0 p -111.62 129.93 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.22 138.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.53 124.8 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.49 -49.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.38 150.17 47.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -102.55 151.36 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.47 -164.25 52.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.69 168.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 4.0 p90 -156.54 150.83 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.58 132.58 52.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.594 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.8 t -120.13 -50.67 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.594 ' N ' HG23 ' A' ' 37' ' ' THR . 10.5 t70 -105.14 109.7 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 48.6 mm -102.99 84.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 41' ' ' PRO . 29.8 m -34.17 137.26 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.567 0.698 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.78 138.09 36.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 46.27 44.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.21 -175.0 16.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.853 HG12 HD13 ' A' ' 14' ' ' LEU . 84.1 t -49.2 -43.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -71.3 -65.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 tpp -45.68 -26.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt-85 -80.6 -36.71 32.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.16 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.14 26.4 7.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.515 HG23 HD13 ' A' ' 87' ' ' LEU . 5.8 p -96.39 124.95 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.78 162.4 18.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.62 162.08 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 57.7 25.23 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.12 112.9 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -57.97 109.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD12 HD21 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -62.45 121.03 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 86' ' ' LEU . 37.7 mm -83.38 -55.76 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.775 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.7 pt-20 -154.39 171.46 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG23 HG21 ' A' ' 64' ' ' VAL . 48.9 t -138.01 123.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' OD1' HG12 ' A' ' 83' ' ' VAL . 1.6 m-20 56.41 28.37 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.3 31.96 29.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HG13 ' A' ' 64' ' ' VAL . 36.4 mt-10 -129.83 102.22 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -47.33 105.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 58' ' ' GLU . 17.0 m -117.64 10.78 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' VAL . 21.0 mt-10 -34.38 -44.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -126.19 47.17 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -101.71 133.47 46.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -50.45 151.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.735 ' O ' HG12 ' A' ' 73' ' ' VAL . 7.9 t-160 -58.42 -34.36 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.2 -22.12 55.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -79.81 -31.99 40.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' LYS . 86.4 t -85.86 -61.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.4 p -35.37 -46.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.7 pt-20 -67.97 -42.67 80.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 46.5 mttt -54.99 -44.73 74.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 83' ' ' VAL . 67.4 t -61.63 -55.22 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -48.02 -50.95 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' SER . 20.4 mmtt -51.02 -53.05 36.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' LYS . 1.1 t -33.02 -47.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.8 -106.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 m -115.54 -15.59 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.2 ptp180 -133.1 155.12 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 ' OD1' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.99 163.28 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.784 ' HG3' HD11 ' A' ' 11' ' ' LEU . 23.9 ttm -110.85 106.96 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CE2' HG23 ' A' ' 83' ' ' VAL . 66.2 m-85 -102.44 141.8 34.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 57' ' ' ILE . 7.1 tp -130.92 113.75 14.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.575 HD21 HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -134.92 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -117.32 150.21 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 92' ' ' THR . 10.0 m-20 -63.2 116.9 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 8.4 ptmt -40.22 -34.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 32.2 mp0 -58.74 -43.91 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' ASP . 90.0 m -77.87 -47.36 18.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.59 -61.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -133.88 162.37 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -76.08 157.88 32.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -113.03 108.65 17.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.88 123.54 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -117.18 96.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -119.98 127.11 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -101.86 112.09 24.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 m -80.97 -59.89 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.91 86.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.76 -7.92 22.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' PRO . 80.7 p -36.43 108.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.5 m -61.52 102.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.1 t -90.77 89.89 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 61.1 m -34.77 123.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.16 -95.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -115.18 155.81 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -88.48 21.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.69 -99.1 0.77 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 18.4 mm-40 -74.14 -61.42 1.25 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 8' ' ' GLN . 53.6 Cg_endo -69.79 -170.6 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -124.3 120.5 32.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.685 HD11 ' HG3' ' A' ' 84' ' ' MET . 0.7 OUTLIER -75.09 113.36 12.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.514 ' N ' HD13 ' A' ' 11' ' ' LEU . 63.7 m -99.89 97.91 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.55 101.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.716 HD13 HG12 ' A' ' 44' ' ' VAL . 3.4 mm? -85.56 130.18 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.608 HG13 ' HG2' ' A' ' 82' ' ' ARG . 77.3 t -132.62 103.56 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.635 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 1.5 ptmm? -49.34 117.84 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 15.3 pt-20 -92.35 -51.61 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -132.34 132.12 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 49.95 -88.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t -112.9 175.69 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CE1' ' HB3' ' A' ' 16' ' ' LYS . 8.3 m-85 -68.89 -175.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.71 43.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 9.7 p90 -163.96 166.5 21.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 37' ' ' THR . 3.0 m -135.63 143.45 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 21.5 mt -99.63 161.78 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -162.93 158.48 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -112.87 148.43 34.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' OH ' ' A' ' 35' ' ' TYR . 11.8 t -138.19 145.17 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -79.26 78.28 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 155.71 -35.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -78.74 163.96 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.4 mtmt -89.15 116.23 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.46 -134.61 52.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG23 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -117.65 173.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 28' ' ' VAL . 2.0 p90 -157.92 176.63 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.602 ' HB3' HD11 ' A' ' 39' ' ' ILE . 17.5 mmt -76.23 141.13 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CD ' ' A' ' 26' ' ' LYS . 14.7 t -157.0 154.05 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 57.32 34.03 24.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.602 HD11 ' HB3' ' A' ' 36' ' ' MET . 48.2 mm -42.02 123.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.6 m -77.7 130.56 73.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.29 29.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 59.16 42.99 17.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.04 -171.68 13.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.716 HG12 HD13 ' A' ' 14' ' ' LEU . 98.0 t -54.16 -71.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.864 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -43.32 -63.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 tpt -49.07 -22.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -92.05 -32.7 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -24.22 64.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.12 21.36 7.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.864 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 10.9 p -96.46 142.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.191 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 52' ' ' ALA . 3.6 pp -120.38 160.73 22.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -59.39 165.47 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 54.85 41.75 31.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.714 ' HB3' HD22 ' A' ' 87' ' ' LEU . 16.7 m-20 -103.65 100.12 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.448 ' NE2' ' HB2' ' A' ' 32' ' ' LYS . 11.2 t-160 -59.72 124.51 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 64' ' ' VAL . 10.7 mt -69.25 124.66 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.4 mm -98.22 -34.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -175.8 167.34 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.7 t -136.29 135.66 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.0 m-20 36.94 30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . 90.12 36.72 7.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.4 mp0 -141.43 107.16 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.92 121.16 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 56' ' ' LEU . 18.6 m -122.72 15.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.85 -59.12 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 25.5 t0 -108.89 40.04 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.5 142.18 31.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -66.03 153.18 42.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.527 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.1 t-160 -52.63 -40.42 62.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 36.0 mt-10 -68.57 -35.6 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -65.06 -40.55 94.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' LYS . 61.0 t -76.91 -62.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 74' ' ' GLU . 9.4 p -35.81 -47.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.538 ' N ' HG13 ' A' ' 73' ' ' VAL . 14.6 mt-10 -61.44 -45.72 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' VAL . 28.2 mttp -55.14 -42.85 73.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 83' ' ' VAL . 84.4 t -73.84 -53.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 73' ' ' VAL . 25.1 mtpp -47.32 -46.64 25.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' SER . 36.1 mtmt -69.66 -45.88 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.447 ' CB ' HG12 ' A' ' 83' ' ' VAL . 5.0 t -34.76 -41.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.67 -127.71 5.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -100.41 -22.45 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.608 ' HG2' HG13 ' A' ' 15' ' ' VAL . 30.0 mtt180 -122.48 148.81 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 76' ' ' VAL . 3.1 m -146.74 171.8 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.685 ' HG3' HD11 ' A' ' 11' ' ' LEU . 31.5 ttm -122.91 109.1 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -105.57 128.92 53.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 tp -112.1 103.71 11.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 54' ' ' ASP . 2.0 mt -116.31 167.56 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.51 150.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.88 145.92 54.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -67.09 -39.43 86.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -50.17 -34.94 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -86.53 -62.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -46.72 134.0 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -132.16 132.54 43.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -81.06 174.81 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -96.13 120.62 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.6 t -128.22 145.98 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -115.36 124.53 51.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -112.83 114.37 26.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 101' ' ' SER . 3.3 tmtm? -141.91 132.35 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.459 ' N ' ' HD3' ' A' ' 100' ' ' LYS . 4.5 m -46.12 127.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.58 147.56 5.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 109.38 2.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m -159.62 137.5 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 m -94.69 170.69 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m -160.65 139.05 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.926 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -171.17 144.82 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.1 111.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -148.46 151.79 35.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -115.6 114.86 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.62 -55.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 mp0 -54.75 -60.18 8.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 54.5 Cg_endo -69.65 175.39 8.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.27 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -108.7 129.06 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.804 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -89.19 116.16 27.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' HD13 ' A' ' 11' ' ' LEU . 68.1 m -103.03 98.2 8.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.07 105.83 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.842 HD13 HG12 ' A' ' 44' ' ' VAL . 1.2 mm? -89.06 150.22 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.3 t -143.67 129.9 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -52.89 117.73 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 6.8 tt0 -120.64 -60.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -122.34 176.45 16.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.28 -46.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -122.45 129.24 51.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -39.96 -69.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.39 33.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -155.56 149.82 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -101.49 144.91 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 mt -121.96 127.65 50.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -151.84 139.95 20.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.6 p -98.43 163.91 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.476 ' HB ' ' CG ' ' A' ' 31' ' ' LYS . 3.9 t -128.42 149.09 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.504 ' C ' ' CD ' ' A' ' 29' ' ' GLN . 7.5 tm0? -69.3 -28.77 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -113.52 48.93 0.89 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 28' ' ' VAL . 54.0 mmtt -152.04 174.93 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -118.58 121.72 40.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.95 175.58 15.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.09 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.626 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.9 p90 -156.74 160.18 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -70.83 137.04 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 38' ' ' ASP . 5.3 t -117.14 -45.48 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 37' ' ' THR . 32.5 t70 -122.63 115.74 22.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -98.81 119.45 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 m -67.72 132.82 92.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.13 27.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.05 42.75 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.3 176.6 16.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.842 HG12 HD13 ' A' ' 14' ' ' LEU . 96.2 t -47.18 -52.58 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -57.6 -61.76 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.9 tpp -53.55 -25.28 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -85.92 -33.09 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.29 65.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.86 39.93 2.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 7.3 p -111.67 124.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.17 165.98 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 177.75 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 43.64 38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -110.23 118.12 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -66.28 131.29 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' A' ' 35' ' ' TYR . 5.0 mp -76.12 117.2 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 mm -83.61 -31.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' C ' ' CD ' ' A' ' 58' ' ' GLU . 1.6 pp20? -175.44 158.53 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG12 ' ND2' ' A' ' 60' ' ' ASN . 58.7 t -123.85 130.66 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' HG12 ' A' ' 59' ' ' VAL . 23.6 p30 40.22 38.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.06 45.51 8.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -146.36 114.8 6.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.68 115.43 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.03 4.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -41.11 -41.53 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -115.52 44.66 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 144.05 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -80.01 151.21 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 73' ' ' VAL . 15.7 t-160 -39.13 -56.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 9.5 pt-20 -43.53 -42.56 5.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 56.9 mm-40 -67.81 -33.4 74.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' VAL . 76.0 t -78.88 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 74' ' ' GLU . 2.9 p -33.95 -48.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 15.9 pt-20 -68.37 -46.91 68.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 30.3 mttp -59.33 -14.16 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG13 HG11 ' A' ' 83' ' ' VAL . 74.7 t -93.28 -59.7 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.8 pttt -60.0 -34.75 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 79' ' ' SER . 41.0 mtmt -70.03 -45.6 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 78' ' ' LYS . 7.9 t -35.12 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 -123.22 3.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.2 m -104.16 -27.63 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -118.29 147.0 43.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.764 HG23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 m -134.77 163.19 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 11' ' ' LEU . 11.3 ttm -131.93 108.77 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -101.68 131.06 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' OE2' ' A' ' 58' ' ' GLU . 13.9 tp -116.65 110.22 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.438 HD13 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -126.81 173.43 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.77 150.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.88 146.98 51.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -69.18 -30.53 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.99 -39.04 93.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' ASP . 98.6 m -71.86 -52.36 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' THR . 36.2 t70 -34.58 128.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -96.69 75.55 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.485 ' HG2' HG22 ' A' ' 97' ' ' VAL . 29.0 ttp85 -75.13 91.08 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -94.68 81.35 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.485 HG22 ' HG2' ' A' ' 95' ' ' ARG . 16.9 m -141.92 153.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -161.89 120.63 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -59.78 150.33 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 132.53 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.5 t -53.7 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.79 92.96 0.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.67 7.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.627 2.218 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -155.99 110.19 2.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 p -83.26 134.53 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -123.42 148.71 45.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -52.92 106.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.16 159.3 31.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p -83.07 149.63 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -80.2 147.17 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.34 40.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -68.59 154.04 95.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -179.56 3.01 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.662 2.242 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -113.64 133.26 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' CG ' ' A' ' 84' ' ' MET . 3.0 tm? -92.09 116.24 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.7 m -103.28 97.97 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -82.33 102.55 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 44' ' ' VAL . 2.2 mm? -87.11 145.36 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' HG3' ' A' ' 82' ' ' ARG . 57.9 t -140.45 127.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -56.59 100.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -94.7 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -132.57 117.73 2.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.68 -102.26 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -103.88 145.21 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -46.64 173.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.47 39.32 2.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -144.91 150.55 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.4 m -113.98 138.61 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 34' ' ' VAL . 70.1 mt -112.14 138.67 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -157.32 140.27 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 p -103.04 155.09 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 30' ' ' GLY . 62.1 t -116.92 137.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -56.36 -40.5 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.566 ' H ' HG12 ' A' ' 28' ' ' VAL . . . -88.78 30.2 5.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -151.5 172.81 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -127.6 120.12 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.27 174.07 27.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 25' ' ' LEU . 4.6 p -109.36 159.58 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.696 ' HA ' HD13 ' A' ' 56' ' ' LEU . 3.0 p90 -155.3 164.35 38.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.84 135.76 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -121.06 -37.99 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -126.39 115.48 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 45' ' ' ALA . 40.1 mm -107.26 90.12 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.8 m -41.39 130.91 2.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.07 44.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.73 2.287 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 54.93 48.24 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.12 -143.0 6.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.795 HG12 HD13 ' A' ' 14' ' ' LEU . 96.0 t -87.43 -48.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.089 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.627 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -61.39 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 tpp -51.37 -19.38 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -86.89 -31.39 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.41 13.51 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.35 43.92 95.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.7 p -113.54 110.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD11 ' OD1' ' A' ' 54' ' ' ASP . 4.2 pp -85.07 164.01 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -78.78 169.85 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 62.81 40.45 9.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.655 ' OD1' HD11 ' A' ' 51' ' ' LEU . 60.6 m-20 -117.32 116.21 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -68.12 120.53 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.7 mp -63.99 133.15 52.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.77 -27.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 64' ' ' VAL . 9.1 pt-20 -175.57 142.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.904 HG23 HG21 ' A' ' 64' ' ' VAL . 78.1 t -112.44 120.47 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 79' ' ' SER . 4.3 t-20 61.72 31.2 18.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.81 22.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.551 ' O ' HG13 ' A' ' 64' ' ' VAL . 5.9 tp10 -141.36 112.6 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -45.52 114.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.919 HG22 ' HA ' ' A' ' 58' ' ' GLU . 12.5 m -126.51 13.69 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.03 -43.9 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.68 35.74 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.59 145.24 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.0 m -81.92 147.31 29.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.657 ' O ' HG12 ' A' ' 73' ' ' VAL . 12.2 t-80 -46.18 -38.63 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -67.41 -30.27 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.79 -30.92 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.612 HG13 HG21 ' A' ' 59' ' ' VAL . 92.2 t -83.13 -58.26 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 69' ' ' HIS . 5.7 p -37.57 -53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 73' ' ' VAL . 10.9 pt-20 -61.11 -44.97 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 8.0 mtpm? -57.92 -33.06 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG13 HG11 ' A' ' 83' ' ' VAL . 83.8 t -68.85 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 16.2 pttt -54.57 -34.91 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 6.5 mtmp? -73.69 -45.01 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.437 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 1.7 m -43.6 -22.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' LYS . . . 122.73 -121.76 4.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -111.45 -33.32 6.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.53 149.34 29.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.646 HG11 HG13 ' A' ' 76' ' ' VAL . 16.7 m -137.26 168.96 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.926 ' CG ' HD21 ' A' ' 11' ' ' LEU . 17.0 ttm -129.97 101.18 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 83' ' ' VAL . 69.0 m-85 -95.83 123.83 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 tp -112.04 110.92 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.57 HD22 ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -126.16 175.62 7.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 89' ' ' ASP . 45.9 t -111.9 154.48 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' N ' HG12 ' A' ' 88' ' ' VAL . 75.3 m-20 -65.02 125.88 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -49.07 -35.88 17.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.81 -34.62 77.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.0 m -79.45 -56.16 4.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.38 -52.53 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.05 132.43 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -123.69 82.83 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -144.04 121.37 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.6 133.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -133.6 166.63 22.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 42.43 28.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 165.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -141.94 149.22 39.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.48 -168.88 18.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -40.17 5.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.394 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 74.0 m -40.86 136.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 p -143.28 151.27 40.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 -58.05 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -85.21 179.83 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.16 74.5 0.39 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -141.5 140.57 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -147.99 165.28 31.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.16 -62.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.6 mt-30 -82.58 155.81 68.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 53.7 Cg_endo -69.76 -171.37 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 86' ' ' LEU . 2.8 ptp180 -114.2 145.0 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD21 ' SD ' ' A' ' 84' ' ' MET . 1.2 tm? -106.03 103.38 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.1 m -92.9 97.9 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.19 99.29 8.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.819 HD13 HG12 ' A' ' 44' ' ' VAL . 3.5 mm? -85.0 143.3 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.869 HG13 ' HB3' ' A' ' 82' ' ' ARG . 12.8 t -141.47 115.2 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -44.18 106.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 26.1 mt-10 -110.55 -41.07 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -118.08 174.91 15.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . -34.95 -32.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' GLY . 60.1 p -159.66 152.06 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 78.5 m-85 -51.35 172.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.21 32.71 7.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 21' ' ' TYR . 49.9 p90 -139.99 152.97 46.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 37' ' ' THR . 2.9 m -121.07 144.05 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 19.0 mt -108.22 146.02 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.599 ' CD ' HG21 ' A' ' 37' ' ' THR . 4.1 ptmt -149.53 158.53 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 p -112.83 150.26 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -126.93 128.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -60.96 121.14 11.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.34 -48.6 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -60.8 -179.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -117.11 143.86 45.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.03 -146.32 14.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.46 -177.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 2.4 p90 -157.06 166.54 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.702 ' HB3' HD11 ' A' ' 39' ' ' ILE . 20.1 mmt -71.75 142.89 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CD ' ' A' ' 26' ' ' LYS . 15.3 t -151.79 163.01 40.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t0 43.79 43.77 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.702 HD11 ' HB3' ' A' ' 36' ' ' MET . 40.2 mm -53.1 116.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.3 m -59.62 136.98 89.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.83 137.74 35.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 46.01 53.73 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.5 177.13 17.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD13 ' A' ' 14' ' ' LEU . 46.1 t -46.97 -31.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -78.65 -63.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 tpp -55.94 -19.46 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -84.58 -34.32 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.16 -14.59 62.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.15 9.5 44.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 45' ' ' ALA . 1.6 p -86.98 137.78 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.4 pp -118.65 139.91 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.77 158.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 63.06 55.07 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' HD22 ' A' ' 87' ' ' LEU . 8.7 m-20 -124.58 107.39 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -53.49 108.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD23 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -59.52 127.01 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -94.99 -53.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' VAL . 8.1 pt-20 -155.43 171.36 20.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG22 ' HD1' ' A' ' 85' ' ' PHE . 50.2 t -136.24 115.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.891 HD21 HG12 ' A' ' 83' ' ' VAL . 18.8 m-20 63.95 25.35 13.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.08 34.07 9.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.4 tp10 -134.85 118.87 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.93 106.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG21 HD23 ' A' ' 56' ' ' LEU . 16.1 m -112.43 6.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -40.66 -38.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -119.14 45.14 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' HB3' ' HB ' ' A' ' 64' ' ' VAL . . . -114.5 133.75 55.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 m -61.53 151.39 33.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.2 t-160 -52.66 -43.72 65.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.99 -24.35 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.16 -28.25 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.39 -54.63 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 69' ' ' HIS . 2.4 p -42.4 -54.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.554 ' H ' HG13 ' A' ' 73' ' ' VAL . 15.2 pt-20 -56.39 -42.13 77.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.7 mtpm? -63.13 -27.85 69.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.79 -62.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 22.0 pttt -53.69 -39.97 65.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 31.6 mtmt -69.59 -37.59 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.47 ' CB ' HG12 ' A' ' 83' ' ' VAL . 4.5 p -33.93 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.49 -88.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -128.43 -48.76 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.869 ' HB3' HG13 ' A' ' 15' ' ' VAL . 8.5 ptm180 -118.92 153.51 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.891 HG12 HD21 ' A' ' 60' ' ' ASN . 27.4 m -136.82 173.12 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.771 ' SD ' HD21 ' A' ' 11' ' ' LEU . 27.2 ttm -124.24 110.78 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 25.7 m-85 -104.91 117.01 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 17.5 tp -104.75 117.56 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -133.12 177.14 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 89' ' ' ASP . 26.0 t -121.75 155.51 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' N ' HG12 ' A' ' 88' ' ' VAL . 1.1 m-20 -67.9 126.54 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 5.1 ptmt -50.14 -29.85 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 70.3 mt-10 -72.64 -44.13 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.0 m -64.1 -53.65 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.02 118.08 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -103.0 150.75 23.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -73.56 -66.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.5 t60 69.44 52.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 97' ' ' VAL . 4.2 m -138.08 123.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -146.73 163.68 35.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -111.11 152.5 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -86.8 103.7 15.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t -93.74 173.58 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.08 151.33 22.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -4.67 14.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.8 m 55.0 44.09 28.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.2 t -126.39 127.9 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -133.83 118.72 18.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -107.95 -59.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.48 -101.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -170.88 125.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -68.2 178.05 2.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.8 -82.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 4.6 mm-40 -47.25 -60.02 4.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.538 0.685 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 53.4 Cg_endo -69.75 151.3 69.07 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -95.43 150.77 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD11 ' HG3' ' A' ' 84' ' ' MET . 1.4 tm? -95.37 103.07 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.3 m -89.18 99.2 12.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -87.41 119.37 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' HD2' ' A' ' 85' ' ' PHE . 3.8 mm? -97.04 148.44 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HG2' ' A' ' 82' ' ' ARG . 46.2 t -139.12 112.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -53.65 115.64 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -117.1 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -127.62 120.22 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . . . 34.54 -103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -83.77 150.36 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -51.37 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.61 -46.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -70.33 170.61 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -131.77 141.33 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.81 134.93 54.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HD3' HG21 ' A' ' 37' ' ' THR . 8.4 pttp -150.48 129.0 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 HG12 ' A' ' 34' ' ' VAL . 21.9 p -80.19 144.22 33.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.74 151.37 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLY . 27.1 pt20 -83.49 -46.53 12.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' GLN . . . -84.59 23.85 7.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -151.31 -175.36 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.75 148.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 HG22 ' A' ' 27' ' ' THR . 34.5 m -89.09 157.51 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.722 ' HA ' HD13 ' A' ' 56' ' ' LEU . 5.2 p90 -157.07 172.05 19.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -74.3 129.64 38.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.445 HG21 ' HD3' ' A' ' 26' ' ' LYS . 10.0 t -114.37 -43.1 3.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 37' ' ' THR . 25.3 t0 -120.38 115.12 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 ' HB2' ' A' ' 52' ' ' ALA . 51.4 mm -102.58 112.44 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -66.15 122.95 83.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.582 0.706 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 137.49 35.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.34 32.49 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.51 -152.25 11.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.51 HG12 ' CD1' ' A' ' 14' ' ' LEU . 97.7 t -78.44 -43.84 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -63.75 -71.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 32.9 tpp -41.51 -31.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.7 -40.91 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' ALA . . . -64.31 -16.71 62.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.0 27.04 11.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.417 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.28 133.03 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.91 150.35 39.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -57.88 153.96 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 73.65 44.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -128.65 104.44 7.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -56.63 125.59 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 35' ' ' TYR . 6.1 mp -73.04 100.8 3.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mm -67.23 -34.63 70.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 64' ' ' VAL . 13.8 pt-20 -173.76 156.79 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 85' ' ' PHE . 50.8 t -130.01 137.42 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 48.48 27.51 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.24 59.97 2.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.86 114.99 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -52.81 113.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 58' ' ' GLU . 14.6 m -121.11 16.04 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -44.31 -47.12 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -118.84 47.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.06 163.66 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.5 p -94.07 150.14 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.588 ' O ' HG12 ' A' ' 73' ' ' VAL . 3.8 t-160 -45.97 -34.22 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . 43.0 mt-10 -69.09 -37.72 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.54 -38.55 87.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' LYS . 90.6 t -78.95 -63.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 69' ' ' HIS . 14.6 p -36.62 -43.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 73' ' ' VAL . 13.2 mt-10 -63.54 -42.41 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mttp -64.48 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.25 -64.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -51.44 -41.73 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 79' ' ' SER . 48.7 mttt -64.31 -35.37 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 78' ' ' LYS . 4.1 p -34.56 -43.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.8 -81.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.8 m -125.51 -43.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.657 ' HG2' HG22 ' A' ' 15' ' ' VAL . 46.7 mtm180 -118.62 154.75 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 84' ' ' MET . 1.0 OUTLIER -131.44 170.76 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.781 ' HG3' HD11 ' A' ' 11' ' ' LEU . 33.1 ttm -134.23 100.84 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.64 ' CD1' HG22 ' A' ' 59' ' ' VAL . 97.3 m-85 -101.0 127.07 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 58' ' ' GLU . 18.3 tp -111.05 108.74 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -128.37 172.46 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 9' ' ' PRO . 57.9 t -113.22 155.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.69 128.15 34.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.6 pttt -51.61 -29.29 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 89' ' ' ASP . 2.8 pt-20 -66.75 -27.57 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.2 m -91.46 -22.13 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 94' ' ' LYS . 5.9 t0 -81.93 39.16 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.6 mtmm 33.51 45.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -78.83 89.63 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -53.23 135.46 38.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 97' ' ' VAL . 35.3 m -106.42 126.79 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.95 131.18 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -135.41 122.37 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.66 144.49 33.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 p -69.52 147.71 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -138.64 144.73 15.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.78 2.72 3.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' PRO . 8.3 t -34.53 99.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 m -110.98 44.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.537 -179.995 . . . . . . . . 0 0 . 1 stop_ save_