data_5y70_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 5y70 _Structure_validation_residue.Date_analyzed 2018-02-02 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 ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.757 0.313 . . . . 75.41 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -19.02 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.11 111.093 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.38 -54.87 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.04 111.16 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p -46.05 -35.26 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 65.2 111.12 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -86.27 -36.34 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.953 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -19.61 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 63.42 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.36 -40.21 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.893 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -80.62 -37.72 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 72.33 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.84 61.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 74.32 111.125 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.37 -36.33 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 71.01 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -89.23 -27.1 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -23.98 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -15.57 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 70.22 110.892 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -96.55 -1.68 46.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -112.22 -44.14 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.939 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 49.26 30.79 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.71 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.09 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -86.21 -60.28 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.892 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -30.19 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.21 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.21 68.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.13 111.095 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -86.03 -16.88 36.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 73.53 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -82.19 -34.86 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.88 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 tpt -69.61 -35.59 75.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.52 110.848 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -20.8 59.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.877 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -81.19 -0.06 38.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.846 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.55 -36.52 55.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.51 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -24.42 56.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.887 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -75.72 -17.43 59.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.921 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -53.35 -22.41 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.61 -59.51 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.71 -27.21 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 74.03 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.17 9.85 30.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 52.31 111.098 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.46 -21.44 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 62.02 110.881 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 158.13 0.97 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 74.44 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.96 22.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 73.53 112.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.37 30.14 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 75.7 -59.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.889 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -41.87 52.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 71.24 111.136 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.5 p 47.91 44.03 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.137 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.14 153.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -92.91 166.33 16.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.684 0.754 . . . . 73.42 110.878 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.1 Cg_endo -69.82 9.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 75.14 112.329 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 41' ' ' SER . 5.5 pt-20 -49.84 -35.66 23.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -23.22 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 70.41 110.852 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -21.47 60.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.06 -34.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.06 -46.48 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -54.25 -23.93 16.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.9 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -18.39 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 75.11 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.72 -21.33 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -46.15 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -45.02 61.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.11 110.922 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -24.84 16.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -30.93 23.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.904 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.84 -62.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.115 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.78 -15.29 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.85 -38.24 54.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.05 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -34.62 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.102 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.59 -40.07 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 70.31 110.86 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -84.23 -30.38 25.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -40.63 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.25 -21.02 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 72.53 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -37.97 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.887 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -43.9 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.876 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mmt -74.48 -6.06 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.855 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -19.12 48.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.09 -30.68 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -102.91 1.19 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -62.89 -16.11 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.1 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -85.89 -21.44 28.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.837 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -78.66 -47.78 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -54.85 -22.7 15.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.871 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.05 -29.82 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.096 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.97 -33.65 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.34 86.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.072 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -87.68 -20.61 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 75.3 110.885 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.5 -47.0 57.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.884 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -24.55 64.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.73 -22.59 27.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.892 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.403 HE22 ' NE2' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -48.71 -57.16 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.905 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.403 ' NE2' HE22 ' A' ' 83' ' ' GLN . 5.1 tp-100 -82.8 -47.85 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.91 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.896 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 73.5 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 -18.39 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 50.5 111.088 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -53.75 -64.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.154 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -85.41 -21.7 28.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.13 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.4 -54.02 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -20.37 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 64.52 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -87.55 -36.91 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.64 -38.27 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.67 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.76 -28.44 21.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.145 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -30.47 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.14 -28.93 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.906 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.46 37.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.884 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.49 -1.6 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.04 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.01 -42.45 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.929 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 51.21 32.02 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.82 -63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.121 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -86.61 -60.49 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -52.35 -27.13 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.831 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.58 -36.53 63.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.3 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -22.36 29.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -40.86 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.32 110.94 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -32.67 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.03 110.849 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -56.64 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.907 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -85.26 -0.59 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.85 -37.59 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -51.63 -32.69 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.58 -51.37 7.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.45 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -22.0 52.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.868 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.98 -41.32 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.849 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -62.04 -16.82 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.86 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 -24.35 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.02 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 1.55 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.859 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 160.9 0.65 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 74.21 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 76.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 75.13 112.361 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -124.42 -51.75 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 75.35 110.881 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -117.48 -24.75 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 -14.82 30.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t 38.01 42.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 72.01 111.168 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.34 156.87 17.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.878 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.21 166.93 15.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 74.44 110.874 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.74 8.73 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 75.02 112.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -50.9 -32.59 21.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.894 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ptm -88.56 -25.37 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 64.42 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -22.13 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.858 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -85.01 -33.37 22.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -82.82 -45.5 14.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 63.35 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -53.95 -24.42 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.914 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.7 -19.24 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -85.57 -22.33 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.62 -49.07 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.85 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -45.56 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -52.26 -29.26 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.07 -30.68 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.873 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 28.7 mm -49.22 -60.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.121 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.03 -20.97 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -62.19 -50.85 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.87 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 168.21 29.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 73.11 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.45 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -87.18 -35.54 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 74.0 111.142 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.99 -30.71 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.887 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -83.38 -31.45 26.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -41.43 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.67 -26.18 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 75.41 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -33.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 75.05 110.92 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -84.01 -51.28 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.75 -10.13 54.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.29 -22.09 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.45 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.19 -33.98 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.45 7.08 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.875 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -9.84 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.877 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -42.37 97.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -86.27 -21.54 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.04 -51.36 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.902 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.96 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.905 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.44 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.081 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.69 -37.14 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.921 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -49.83 -36.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.826 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.3 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.31 111.099 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -87.3 -21.84 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.16 -42.45 63.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.935 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -26.93 68.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.885 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -83.83 -41.71 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -55.59 -25.09 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.92 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -45.39 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.894 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.902 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 73.22 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.45 -18.56 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.24 111.1 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -64.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.126 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -90.73 -20.15 22.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 74.04 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.69 -54.92 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.07 -20.52 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -87.4 -36.65 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.99 -38.84 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 72.42 110.883 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.65 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.2 111.094 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.28 -30.51 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.34 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -87.71 -29.44 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.962 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.25 -24.21 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -15.54 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.903 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.7 -0.73 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.864 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mt -108.08 -47.09 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 50.93 26.26 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.856 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.29 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.4 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -58.64 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 72.4 110.922 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.07 -49.28 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.889 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.5 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 73.2 111.115 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -23.68 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -39.61 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 71.42 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -59.86 -39.1 84.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.42 110.855 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.04 -21.11 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.2 0.75 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.809 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -35.04 36.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -57.5 -26.46 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.894 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -83.45 -16.33 46.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -51.4 -22.57 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -49.38 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.41 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -73.68 -25.18 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.853 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.19 10.2 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.12 111.093 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.78 -21.31 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.52 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 162.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 73.23 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 138.7 38.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 75.11 112.367 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.05 30.1 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.89 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.91 -58.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 73.44 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.31 49.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.1 p 48.42 33.95 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.33 111.156 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 168.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -93.22 166.93 15.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 74.34 110.885 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 9.54 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 73.22 112.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -52.36 -26.8 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.836 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -31.32 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.886 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -68.91 -22.85 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.882 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.3 -33.98 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.33 110.849 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -83.75 -48.35 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.09 -24.0 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -20.02 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.866 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -22.37 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -47.48 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.864 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.62 62.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.896 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -53.3 -26.82 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 70.43 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -31.73 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.862 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.415 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.1 mt -51.87 -62.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 75.12 111.112 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.82 -15.31 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.34 -39.1 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 54.2 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 177.41 -32.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -45.86 -34.31 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.16 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.52 -36.87 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.847 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.69 -39.77 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.902 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -41.66 88.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.55 110.877 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -52.65 -24.97 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.92 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -32.67 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -84.09 -52.14 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.95 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -12.36 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.23 110.906 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -24.47 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.842 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 53.52 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -102.93 7.64 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.1 p -62.25 -16.46 53.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 54.04 110.885 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.94 -41.55 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.869 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -21.41 28.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -79.97 -51.43 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.898 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -58.31 -22.77 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.35 110.888 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.67 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.072 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.41 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.929 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.19 -36.59 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 65.21 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.1 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.12 111.099 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -87.65 -22.39 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.15 110.883 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.82 -42.21 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.895 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.77 -26.74 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.946 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -44.57 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 65.13 110.906 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -27.98 40.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.938 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -43.53 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.01 110.939 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.891 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.807 0.337 . . . . 62.34 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.8 -18.25 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 70.51 111.102 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -64.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.23 111.13 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -40.03 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.4 111.166 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -69.18 -43.29 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 73.03 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.39 -20.84 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 71.24 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.38 -36.64 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -81.65 -39.09 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.31 110.873 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -19.89 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 65.4 111.102 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.61 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 64.44 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -88.23 -29.81 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -25.11 31.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.927 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -16.51 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.853 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.95 -0.9 33.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.836 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -114.35 -43.41 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.912 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 43.6 m-20 50.51 35.0 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.89 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.41 -61.54 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.087 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -85.52 -61.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.11 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.01 -54.15 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 72.24 110.867 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.51 -22.47 55.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.088 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -85.36 -33.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.874 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -79.7 -35.7 38.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -55.7 -28.54 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.852 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -21.27 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.838 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.49 0.02 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -36.47 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -24.02 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 54.41 110.885 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -79.97 -17.48 52.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -22.61 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.25 110.825 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.4 -59.35 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 74.45 110.932 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.5 -27.28 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 9.87 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 70.05 111.063 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -56.6 -21.21 25.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.11 110.897 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.23 162.33 0.52 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.52 110.837 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.78 21.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 74.44 112.332 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.86 29.98 7.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.843 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.87 -58.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.99 -29.61 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.108 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t 39.43 40.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.14 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.89 157.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.947 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -92.93 166.35 16.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 75.21 110.838 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.73 8.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 74.15 112.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.3 pt-20 -50.13 -33.43 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.838 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.46 -26.28 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -21.28 59.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.917 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.72 -34.33 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -84.01 -46.27 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.45 110.842 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -53.5 -24.74 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.91 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -19.76 58.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -84.78 -22.46 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.12 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -48.23 11.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.02 63.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.28 -27.08 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 74.13 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -32.8 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.55 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.406 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 71.6 mt -53.9 -62.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 71.12 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.61 -15.61 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 74.4 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -78.67 -36.96 43.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.891 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.1 m -47.65 -32.98 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.128 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -49.75 -33.75 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.2 -41.84 16.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.903 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -40.26 88.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 70.33 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 7.0 t-20 -54.4 -22.47 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.908 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -28.36 22.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.926 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -52.72 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.876 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.82 -11.92 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.865 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -50.83 -26.6 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.891 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -40.16 89.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.875 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -93.26 7.98 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -9.09 42.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.877 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.25 -42.95 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.51 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -86.78 -22.6 25.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.844 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.99 -49.97 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.887 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -21.66 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.48 -28.68 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 73.44 111.056 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -48.92 -38.01 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.851 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -36.39 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.868 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.26 87.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.01 111.097 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -87.15 -21.07 26.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tt -49.38 -49.57 44.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.928 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -31.75 14.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.78 -38.2 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -22.2 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.91 -32.11 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.89 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.775 0.322 . . . . 70.24 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.15 -22.14 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -64.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.169 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.8 t -90.89 -20.58 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 64.45 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -75.01 -51.72 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.913 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -19.84 66.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -87.32 -37.41 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -79.63 -38.99 32.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.45 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.13 111.118 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 -29.28 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 63.04 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -87.27 -31.15 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.43 -25.51 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.893 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -11.02 39.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.892 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -105.27 -2.13 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.85 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.39 -41.39 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.919 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.32 38.49 29.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.883 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.62 -65.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -88.8 -60.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.87 -21.97 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.865 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.38 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 55.25 111.119 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -85.17 -14.52 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.844 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -37.71 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 73.01 110.927 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.6 tpp -61.93 -25.55 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.896 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -49.09 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 72.24 110.867 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.69 0.05 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 73.4 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -59.37 -30.41 68.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.91 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -57.03 -33.85 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -52.86 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -59.43 -20.44 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 73.21 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.78 -45.86 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.29 -21.07 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.12 -16.83 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 75.24 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.91 6.0 30.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.59 157.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 74.41 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.55 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 73.22 112.35 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.32 -49.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.82 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -116.55 -26.3 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.865 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . . . -84.36 -22.43 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 54.51 111.104 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.3 t 35.97 66.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.129 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -119.66 169.41 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.55 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.79 166.52 15.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.699 0.761 . . . . 35.31 110.842 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 9.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.673 2.248 . . . . 74.33 112.369 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' SER . 1.1 pp20? -50.16 -33.5 19.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.883 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -25.73 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.829 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -70.71 -51.94 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.21 -42.32 75.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -62.49 -46.01 90.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.878 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.8 -23.98 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.66 -19.9 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.02 110.874 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -21.82 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.925 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.71 -43.74 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.921 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.16 -44.94 61.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -57.39 -29.26 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.446 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.7 -19.89 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.885 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -65.18 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.34 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -15.49 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.942 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -63.58 -47.95 79.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.875 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.23 42.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.858 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -86.02 -36.8 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 71.15 111.183 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.74 -30.74 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.872 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -29.83 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -57.74 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.894 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.42 -27.85 2.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 72.15 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -42.19 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -85.72 -48.37 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.918 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tpt -63.84 -14.5 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -22.41 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.806 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.24 -34.53 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -102.98 -3.77 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 p -70.18 -10.3 58.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.23 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -42.32 89.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -85.76 -21.5 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.58 -52.29 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.898 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -52.15 -27.69 15.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 74.52 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.18 -31.87 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.22 111.081 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -36.58 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.936 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -37.46 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.887 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.98 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.53 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -88.03 -22.33 24.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.857 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.6 -43.81 62.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -31.89 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.932 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -85.66 -35.48 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 72.52 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -23.5 43.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -49.97 -30.98 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.906 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 73.22 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.05 -19.66 13.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.114 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -64.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 63.04 111.146 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -90.59 -20.49 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 75.2 111.171 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.41 -53.83 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.09 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.08 -36.95 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.09 -38.0 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.829 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -16.2 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.32 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 111.142 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -89.42 -29.27 19.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.918 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.35 -25.13 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.64 -15.41 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.89 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -1.55 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 72.05 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -93.34 -49.27 6.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.92 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 4.8 m-20 61.76 16.26 7.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.4 -63.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.13 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -86.62 -58.74 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.83 -56.55 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.02 110.881 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.23 -25.02 30.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 64.34 111.084 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.9 -22.31 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -81.1 -39.85 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.91 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.2 mmt -55.74 -35.6 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -24.49 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -81.59 0.04 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -42.24 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.07 -35.6 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 62.2 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -83.95 -17.83 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.969 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -21.86 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.888 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.38 -55.59 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -57.65 -29.0 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.878 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.53 8.73 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 64.5 111.101 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.23 -21.71 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.864 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.85 108.47 1.0 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.509 0.671 . . . . 72.14 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 98.54 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 74.52 112.344 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -125.19 -51.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.84 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -99.92 -34.61 10.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.94 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 p 51.77 28.81 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.45 111.119 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -82.36 176.16 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -93.49 167.75 13.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 75.4 110.863 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.75 8.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 61.02 112.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -51.9 -30.02 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.866 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -28.78 26.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.54 110.862 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -67.84 -22.99 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.906 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.67 -35.65 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.04 -48.86 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -55.45 -24.97 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.942 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.47 -17.29 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -85.46 -20.93 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.913 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.63 -40.58 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.31 -44.4 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.05 -25.6 22.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -32.77 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.4 mt -52.95 -63.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.138 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.36 -15.1 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.939 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.18 -36.93 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.893 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.31 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.98 -31.4 5.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.147 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.87 -33.2 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.87 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -82.98 -39.57 21.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.67 -34.09 77.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.914 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 9.1 t-20 -67.5 -20.83 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.847 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.84 -36.14 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -84.38 -45.03 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.35 110.892 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 mmt -68.65 -11.46 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.883 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.11 -25.59 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.45 110.832 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -61.0 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.883 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -79.15 -10.76 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -69.67 -9.32 53.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.35 110.817 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.13 -43.16 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 53.42 110.846 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -86.42 -21.39 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.78 -22.84 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.06 -30.06 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.43 111.092 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -37.18 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -38.7 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 74.32 110.872 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.75 80.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 40.1 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -89.2 -23.63 22.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.55 -47.92 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.06 -17.78 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.896 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.49 -24.4 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -57.27 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.917 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -82.95 -49.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.859 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.787 0.327 . . . . 71.14 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.2 -17.95 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.13 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -62.84 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 65.52 111.151 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 p -46.24 -45.64 17.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.03 111.161 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.13 -41.01 74.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 64.4 110.944 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.73 -19.69 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -87.58 -40.32 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.26 -42.88 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.898 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -18.62 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 73.41 111.106 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.84 18.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.11 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -27.76 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.25 -24.09 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.907 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 -17.44 32.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 64.43 110.876 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.28 -1.07 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.54 110.861 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.16 -42.63 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 47.75 34.57 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.85 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.92 -61.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.22 111.085 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -87.08 -51.59 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.895 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -52.76 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 72.22 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.46 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.078 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -85.81 -22.62 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -29.4 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.878 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.96 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.869 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.55 -40.36 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -80.83 -0.88 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.882 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.4 -24.61 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.846 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -63.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.937 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -21.85 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -79.0 -7.97 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.871 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -121.84 -20.91 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 75.31 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.71 -40.56 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.088 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.31 6.68 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.11 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.74 106.74 0.65 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.551 0.691 . . . . 74.4 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HG2' ' H ' ' A' ' 36' ' ' ASP . 53.1 Cg_endo -69.81 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 73.03 112.317 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' H ' ' HG2' ' A' ' 35' ' ' PRO . 8.0 m-20 -106.12 28.35 7.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.876 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 76.84 -57.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.865 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -95.67 -56.05 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.43 111.077 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 78.64 -5.13 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 74.01 111.123 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.19 -165.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.946 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.444 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -88.9 168.28 16.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 71.35 110.872 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.444 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.38 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 74.42 112.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 41' ' ' SER . 3.0 pt-20 -56.43 -36.11 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.835 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -89.56 -24.84 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -78.58 -21.32 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 75.24 110.931 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -84.54 -33.33 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.2 -45.6 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.857 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.27 -25.17 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.13 -18.89 63.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 74.34 110.9 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -82.79 -22.42 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 72.33 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -44.59 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.36 -44.98 95.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.888 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -53.24 -24.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 74.05 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.25 -31.66 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 71.02 110.865 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 61.5 mt -51.56 -61.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 74.02 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.37 -14.9 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.861 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -38.26 47.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 74.14 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.91 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.03 -31.0 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.32 111.163 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.14 -34.47 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.897 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -83.89 -41.56 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.9 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.68 -58.33 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -52.34 -22.27 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 72.33 110.858 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.73 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -84.61 -41.95 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.85 -7.53 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.54 110.857 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.34 -26.23 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.65 -30.84 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.844 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.68 7.13 31.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 75.23 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 m -71.39 -8.76 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.855 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.4 -43.48 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.925 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -86.56 -22.99 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 72.41 110.853 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -80.33 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.89 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -23.54 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.12 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 50.11 111.089 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.07 -39.76 75.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.926 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -38.38 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.845 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.37 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.24 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -89.47 -21.7 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.73 -51.97 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.891 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -35.32 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.941 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.22 -29.28 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.904 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.614 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -48.83 -58.32 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.9 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.614 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.1 OUTLIER -78.29 -55.52 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.53 110.874 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.876 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.841 0.353 . . . . 74.34 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -17.34 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 75.31 111.113 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -65.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.177 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -88.14 -21.29 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -72.82 -51.78 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 75.25 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.65 -20.28 66.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -88.2 -37.8 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.864 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -76.18 -38.76 56.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.831 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.85 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.29 -30.27 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 65.23 111.093 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -87.19 -29.75 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.944 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.51 -25.08 64.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.896 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -13.93 25.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -100.17 -1.21 37.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.85 -42.75 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.885 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 51.77 34.49 13.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.905 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.8 -64.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.01 111.111 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -90.33 -61.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.9 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' H ' ' HG3' ' A' ' 18' ' ' GLU . 1.9 m-85 -54.14 -19.73 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 75.23 110.913 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 -40.76 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.077 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -85.42 -24.9 27.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.91 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.74 -41.29 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.886 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -35.57 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.9 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.13 -21.0 64.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 65.44 110.866 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.89 0.39 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.3 -34.48 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.17 -22.8 52.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -16.1 53.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.45 110.903 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -51.06 -22.99 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.85 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -57.9 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.937 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.43 -26.66 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 74.52 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 10.56 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -21.01 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -49.52 163.06 0.4 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 71.11 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.52 112.367 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.9 m-20 -122.76 30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 76.22 -59.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.87 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.17 -39.51 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 p 49.11 40.74 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.158 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.78 153.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.893 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.21 167.4 14.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 64.24 110.865 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 10.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 74.24 112.367 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -54.04 -26.76 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.15 110.924 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -88.07 -22.26 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 65.33 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.13 -24.56 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.06 -38.61 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.06 -45.27 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.844 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -52.75 -23.9 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 65.42 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.48 -19.61 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.01 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -22.62 25.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -36.11 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -57.47 -27.42 62.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 70.33 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -77.13 -21.26 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -41.94 14.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.489 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 1.3 tt -57.86 -43.95 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.13 111.135 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.76 -15.67 55.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.942 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 1.4 mm-40 -77.42 -51.02 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.847 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER 165.39 36.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.869 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -84.99 -31.96 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.151 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -50.48 -31.22 14.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.861 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -38.81 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.35 -40.56 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -26.73 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -79.16 -31.46 43.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -82.69 -52.37 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.865 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.96 -10.26 56.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 71.13 110.88 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -20.53 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.39 -39.32 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -102.84 2.99 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.8 p -72.46 -8.81 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.15 -21.49 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.97 -51.89 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.871 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.69 -23.52 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 62.34 110.946 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.54 -31.46 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 63.12 111.098 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -50.19 -38.3 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -36.73 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.881 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.85 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.55 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -88.11 -21.79 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -40.81 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.924 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.75 -31.04 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -85.99 -33.44 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.34 -30.12 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.959 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -50.68 -30.9 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.886 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 75.24 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.85 -18.12 20.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 62.43 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.144 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.34 -21.41 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 55.24 111.096 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.91 -51.68 17.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.01 110.906 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.25 -20.96 66.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -89.25 -37.4 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.863 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -78.47 -39.12 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.878 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.04 -19.67 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.23 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.73 -33.54 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 71.41 111.107 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -28.51 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 72.43 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.72 -30.49 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 73.14 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.52 -16.7 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -97.36 -1.83 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.893 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -103.64 -45.89 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 58.89 20.85 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.38 -59.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -85.93 -49.75 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.877 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -51.67 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.886 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.36 -25.06 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 74.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -27.1 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -61.83 -48.45 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.897 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -25.65 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.89 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -83.84 -19.82 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.71 0.06 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 63.31 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.6 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 60.44 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.81 -36.14 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.891 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -83.47 -16.29 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.54 110.915 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -51.59 -22.29 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -76.89 -47.24 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 75.31 110.909 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -76.15 -25.1 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.2 10.3 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.3 111.091 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.63 -21.22 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.819 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.5 157.94 0.87 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 74.24 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.42 67.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 62.4 112.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -121.26 27.69 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.863 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.77 -58.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.895 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -32.23 16.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.21 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t 38.42 41.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 70.51 111.131 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 174.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 64.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -94.59 167.04 13.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 73.44 110.834 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.77 9.33 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 70.12 112.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -53.55 -25.91 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.901 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -79.35 -30.04 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.01 110.901 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -67.5 -23.76 65.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.933 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.91 -35.67 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -80.61 -48.5 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.55 -24.21 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.955 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -19.82 54.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 65.32 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -21.96 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 73.24 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.58 -42.49 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -52.99 -22.94 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -33.89 24.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 2.3 tt -59.71 -36.82 68.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.176 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.62 -15.59 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.24 -37.34 33.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 62.13 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.2 m -45.44 -31.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 73.13 111.11 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.13 -39.65 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 74.3 110.846 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -83.37 -31.91 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -37.0 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.883 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.85 -24.32 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -80.67 -32.53 36.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -52.64 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 75.24 110.943 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.21 -6.91 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -22.25 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.866 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.26 -38.17 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -103.42 6.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.8 p -70.67 -9.69 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.13 -41.15 95.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 71.11 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -86.33 -21.4 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -80.37 -50.39 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 75.4 110.867 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.69 -23.08 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.03 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.35 111.09 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -48.82 -43.98 38.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.51 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -47.93 -35.26 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.44 90.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 64.01 111.127 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.11 -21.7 36.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.07 -40.53 58.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 73.24 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.907 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.92 -47.77 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.85 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -22.53 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -50.27 -30.38 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.961 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 73.04 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.94 -27.37 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 73.21 111.109 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -54.76 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 64.31 111.159 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.64 -41.19 41.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.166 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -41.43 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.898 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -65.34 -21.39 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 65.43 110.853 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.89 -41.1 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -45.57 87.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 60.22 110.906 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.21 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 52.34 111.085 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -32.35 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 64.23 111.091 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -15.3 38.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 64.31 110.882 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 mt -97.16 -38.82 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.936 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.99 -17.07 35.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 64.53 110.869 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -0.93 56.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.846 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -52.26 2.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 70.45 110.893 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 46.46 28.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.24 110.848 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.75 -63.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.44 111.066 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -86.39 -61.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.888 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.69 16.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.846 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.01 81.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.02 111.077 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -85.64 -27.25 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.913 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -78.02 -40.27 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.889 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 tpt -55.24 -35.33 64.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 55.4 110.844 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.43 -20.85 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 70.2 110.942 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.22 0.18 33.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 64.33 110.91 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.45 -28.62 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -57.85 -20.9 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -78.27 -16.41 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -22.47 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -78.28 -53.03 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.857 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -66.56 -27.42 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.86 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 10.56 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.135 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -56.02 -21.57 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.3 110.89 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 156.48 1.64 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 74.43 110.882 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 92.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 74.02 112.317 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 13.9 m-20 -124.85 27.93 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.835 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.5 tt0 80.74 -34.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' ASP . . . -76.74 -2.14 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 p -77.26 49.53 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.46 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.943 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -91.51 165.89 19.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 74.01 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.8 7.97 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.685 2.257 . . . . 75.33 112.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 41' ' ' SER . 6.6 pt-20 -49.18 -42.75 40.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.411 ' N ' ' CG ' ' A' ' 43' ' ' GLU . 4.6 mtt -93.24 -19.29 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -64.55 -20.27 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -84.27 -35.56 23.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.924 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -35.72 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 63.51 110.84 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -54.48 -25.17 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.43 -18.78 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -83.28 -21.69 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -79.26 -51.77 9.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.889 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -55.4 -24.49 30.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.45 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 mtm -87.2 -30.88 20.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -51.66 -62.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.33 111.153 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -38.39 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.75 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.32 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.59 -34.03 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.193 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.04 -36.65 70.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.863 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -83.21 -28.48 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -74.74 -34.54 62.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.908 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.85 -22.23 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.89 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -87.09 -28.46 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.871 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.41 -52.55 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.878 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -8.19 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.53 110.879 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.22 -21.28 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.87 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -35.38 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -103.02 7.14 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 70.1 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.9 p -69.37 -10.74 59.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.841 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -37.68 58.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.847 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.9 -21.54 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -75.24 -53.02 9.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.886 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -27.56 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.89 -42.44 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.43 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -56.05 -34.18 65.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.917 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -47.06 -40.76 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.62 80.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.31 111.109 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -86.6 -22.82 26.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.13 -50.52 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 75.23 110.91 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.34 -30.68 71.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -80.18 -25.26 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.25 -54.67 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.959 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -47.66 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.88 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.902 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.21 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.36 -21.01 33.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.089 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -51.56 -41.32 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.52 111.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -21.66 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 74.35 111.154 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -87.31 -43.35 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.892 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -22.91 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -88.79 -37.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.21 -41.03 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -19.49 41.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.23 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.82 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -24.53 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.42 110.937 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -23.48 37.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.45 110.923 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -14.55 20.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -101.14 -1.71 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.83 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -41.17 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.51 110.922 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.02 38.71 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.864 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.56 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.03 111.129 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -86.03 -52.37 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.89 -46.96 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 63.32 110.846 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -22.94 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -23.73 26.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.13 110.883 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -92.89 -33.8 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.887 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -27.46 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.839 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -20.92 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.88 -0.13 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.924 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -49.97 -42.43 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.19 -33.48 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -83.38 -17.44 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.55 110.932 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -55.36 -21.43 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -27.62 61.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -104.2 -11.64 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.18 -9.62 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.88 -21.99 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.907 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 108.57 1.02 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 75.41 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.29 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 72.52 112.335 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.62 -51.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -110.72 -28.93 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.09 -57.83 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 60.23 111.06 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p 50.85 32.51 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.171 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.26 163.5 27.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.887 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -93.43 166.98 14.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.691 0.758 . . . . 74.01 110.846 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.7 9.34 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 75.14 112.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 41' ' ' SER . 1.3 pt-20 -56.01 -38.88 71.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.851 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mmm -91.11 -22.32 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.872 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -65.31 -35.5 81.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -34.86 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -72.85 -41.68 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.11 -24.08 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.897 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.18 -19.29 61.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 73.15 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.8 -22.74 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 75.35 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -49.46 10.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.864 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -44.97 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 64.34 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -52.44 -32.05 37.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -34.1 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.844 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.7 mt -55.48 -64.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.153 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -64.02 -16.09 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.865 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.79 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 p -54.54 -22.0 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.186 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -47.82 -48.99 30.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -68.94 -39.97 79.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.56 -44.62 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.847 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -53.34 -23.12 8.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -83.46 -30.33 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.894 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -52.05 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 72.3 110.892 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mmt -65.0 -13.22 57.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.908 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -53.08 -25.42 12.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.885 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.27 -34.94 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.54 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -102.78 -4.38 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.837 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -71.99 -8.47 54.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.866 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.81 -43.09 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.884 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -21.94 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.901 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -81.59 -49.78 10.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.875 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -23.47 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.13 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.04 111.098 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.01 -38.01 69.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -37.86 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.45 110.859 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.51 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 63.32 111.101 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -87.9 -21.22 25.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.47 -38.67 72.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.909 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.35 -30.6 69.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.902 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -84.89 -29.93 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.909 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -50.75 -55.58 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.99 -54.41 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 75.55 110.925 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 71.34 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.89 -18.49 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.108 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -55.36 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 73.44 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 p -47.7 -42.59 25.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.175 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -79.65 -34.19 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.9 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.34 -20.23 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.64 -38.74 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 73.51 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -80.24 -39.14 29.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.903 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -16.43 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 70.43 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.53 -34.31 20.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -89.71 -26.95 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 64.11 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.79 -22.99 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.89 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -10.24 31.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.865 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -1.56 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.891 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.51 -42.15 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 58.23 43.44 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 65.32 110.853 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.94 -64.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.114 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -88.17 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.877 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.32 -23.37 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.904 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.61 -35.64 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 54.2 111.127 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -84.84 -24.28 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -46.04 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 73.52 110.911 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.3 mmm -54.05 -30.29 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 70.35 110.879 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -20.43 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.55 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.36 -0.47 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.52 110.828 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -50.36 -44.47 54.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 72.43 110.904 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -55.52 -31.13 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.872 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.3 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.868 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -22.98 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -57.58 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 72.2 110.849 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -62.16 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.2 110.858 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.21 7.99 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.02 -20.85 26.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 55.42 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 156.41 1.27 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 73.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.81 24.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 75.11 112.329 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.35 29.45 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.817 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.28 -59.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.907 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 40' ' ' LEU . . . -74.1 -62.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 72.03 111.11 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER 78.28 -34.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 74.41 111.136 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 38' ' ' ALA . 13.9 tp 63.76 156.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.923 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.19 166.23 16.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.661 0.744 . . . . 64.33 110.841 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.14 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.638 2.225 . . . . 73.22 112.355 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.8 pt-20 -49.66 -36.52 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -23.15 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -77.64 -21.33 52.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -83.99 -34.26 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 63.5 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -84.04 -45.68 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -52.61 -23.48 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.928 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.43 -20.06 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.34 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -22.05 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.91 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -85.79 -31.79 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.887 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -28.2 55.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -22.05 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -21.51 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.866 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' A' ' 59' ' ' THR . 9.9 tt -87.76 -44.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.34 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -73.93 -9.6 58.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -76.86 -43.38 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.38 54.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.874 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -85.91 -33.6 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 71.34 111.149 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -49.38 -34.57 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.905 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -85.74 -35.05 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -62.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.861 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -46.78 -34.92 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -61.6 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.907 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -48.64 10.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.843 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.78 -10.67 39.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 75.01 110.917 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -54.35 -23.69 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.914 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.94 -33.78 72.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.913 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -103.2 -14.44 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -56.93 -21.4 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.852 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.61 -50.63 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.88 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -84.12 -23.08 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.2 -47.57 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -53.56 -23.53 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.22 -31.08 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.12 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -49.84 -36.33 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.4 110.919 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -38.25 21.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 75.13 111.117 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -88.0 -21.61 24.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.908 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.19 -52.05 60.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -33.94 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.43 110.934 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.27 -32.57 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.58 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 61.42 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.43 -53.13 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 72.42 110.905 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.891 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 75.14 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.6 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.24 111.114 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 72.25 111.204 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.74 -19.68 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 72.53 111.143 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -77.61 -54.08 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.35 -19.93 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.914 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.89 -37.38 17.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.02 -39.54 41.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.45 110.852 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.26 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 52.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.21 -30.69 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.2 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -30.73 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 71.42 110.879 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.35 -24.65 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -14.06 19.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.41 110.87 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -105.58 -1.4 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.895 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.95 -42.73 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 54.21 36.78 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.85 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.77 -63.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 62.13 111.133 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.09 -62.55 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -53.3 -24.52 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 73.02 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.119 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -23.4 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -77.58 -43.92 30.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 75.55 110.884 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -34.85 64.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.51 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.2 -20.51 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.882 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.56 0.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.03 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -51.57 -37.18 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -58.16 -23.87 56.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.887 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.66 -15.15 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.917 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.24 -23.17 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.853 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -49.41 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.887 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -74.31 -24.62 59.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.877 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.37 10.35 29.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.45 111.104 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.67 -21.31 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.54 160.41 0.59 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 73.42 110.884 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 34' ' ' LYS . 53.6 Cg_endo -69.76 134.72 28.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 75.3 112.336 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.8 m-20 -122.73 32.35 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.85 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.4 tt0 77.78 -56.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.907 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.65 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 64.45 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m 76.73 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.164 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 40' ' ' LEU . 2.1 tm? 63.39 131.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -95.76 165.47 16.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 71.32 110.831 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 12.8 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 73.24 112.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -53.88 -28.11 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 63.25 110.878 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mmt -87.9 -19.97 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -24.79 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.46 -44.8 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -51.97 -23.96 5.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 75.01 110.953 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.86 -21.58 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.52 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -88.42 -22.6 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -45.09 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.853 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -45.46 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 64.11 110.908 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -54.48 -27.72 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.929 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -24.02 22.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.87 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 45.8 mt -55.99 -61.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.136 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -71.36 -16.15 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 2.4 tt0 -65.92 -51.49 58.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER 167.45 38.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.865 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.439 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -85.5 -27.01 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 75.03 111.136 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.87 -31.58 68.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.828 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -84.25 -30.33 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -48.36 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -53.43 -22.43 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.34 58.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.898 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -44.82 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.92 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mmt -72.99 -7.14 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.877 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -22.74 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.852 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -29.2 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -103.4 -21.43 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 p -54.57 -23.32 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.837 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.39 -55.08 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.34 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.08 -22.5 27.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.843 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -73.11 -51.76 16.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.885 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -51.53 -26.76 9.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.12 -30.88 22.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.146 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -50.3 -37.34 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.861 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -37.34 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.877 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.95 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -88.08 -21.73 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -42.76 62.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.936 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.967 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.82 -25.37 26.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.877 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -56.7 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.921 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.7 -50.04 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 73.33 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.54 -22.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.54 111.142 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.21 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.15 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -89.87 -20.57 23.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 74.32 111.131 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.36 -53.29 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.15 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.47 -16.76 64.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 64.41 110.871 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.45 -43.2 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.859 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' C ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.24 -39.52 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.926 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 8' ' ' PHE . . . -62.59 -15.08 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 51.54 111.082 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.29 -32.93 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.11 111.145 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -88.55 -29.9 19.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.97 -38.36 88.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.934 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -12.77 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 72.32 110.869 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -97.44 -1.57 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 -44.66 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.934 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 48.87 37.32 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.3 110.852 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.3 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.073 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -19.71 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 72.32 110.856 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.81 70.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 74.04 111.076 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.3 -20.83 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.951 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.95 -42.38 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.2 tpt -56.97 -31.76 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.853 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -0.51 53.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.01 110.861 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -33.3 75.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -29.38 14.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -83.36 -52.39 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -21.54 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -70.45 -48.36 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -53.8 -25.36 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.25 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.64 -21.47 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.68 5.91 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.864 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.78 157.26 1.06 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 72.03 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 75.12 112.366 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -124.16 -36.38 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.861 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.01 -31.83 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.869 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.99 -20.99 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.54 111.089 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t 37.29 43.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 74.14 111.179 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.72 177.15 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.95 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -94.04 166.51 15.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 71.53 110.876 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 10.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 72.51 112.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -51.3 -31.65 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 72.24 110.848 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -88.91 -25.81 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.854 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -20.64 40.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.26 -35.04 28.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 71.11 110.885 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -84.16 -45.15 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.42 -23.57 16.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.926 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.18 -17.16 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.15 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -22.15 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -32.72 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.54 -31.35 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.929 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.948 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -22.09 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.918 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.441 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 10.3 tt -82.6 -43.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.24 111.115 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -80.98 -11.73 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -46.57 60.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.32 48.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -86.36 -31.48 21.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.02 111.141 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.55 -33.89 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.872 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -86.0 -31.79 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.884 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.4 -59.49 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.873 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.41 -33.89 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.34 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -41.72 95.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.865 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -84.13 -47.59 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 73.35 110.933 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -64.88 -12.58 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.86 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -20.14 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.92 -32.11 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.15 110.882 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -102.9 7.53 39.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 63.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.0 p -58.85 -19.69 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.896 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -43.45 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 73.41 110.858 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.77 -21.33 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.74 -52.23 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.922 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.19 -23.64 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.896 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.52 -31.61 24.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 72.53 111.129 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -26.92 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.97 84.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.4 -31.7 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.092 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -78.86 -20.94 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -46.42 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.43 -34.69 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.911 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -85.93 -32.54 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.42 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -53.53 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.898 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.2 OUTLIER -66.28 -53.03 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 71.34 110.907 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.866 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.769 0.318 . . . . 74.5 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.06 79.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 52.23 111.086 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -48.3 -46.03 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.129 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.55 -47.66 10.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.18 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -84.12 -40.12 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.75 -19.93 62.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -89.46 -40.76 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.5 -43.74 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.872 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.16 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.112 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.8 -32.03 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.52 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 -16.36 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.35 110.873 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.62 -29.55 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.11 -18.42 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.86 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -96.2 -1.15 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -113.49 -43.18 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 16.7 m-20 47.19 34.41 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.851 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.32 -59.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.104 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.8 -60.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.86 -46.5 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.897 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.52 -35.78 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 75.44 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -15.17 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.74 -29.13 16.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.869 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -30.14 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.45 110.902 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -81.22 -48.2 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.918 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -0.31 41.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.13 110.887 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -46.1 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.79 -38.53 48.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.833 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -83.84 -36.14 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -66.56 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -72.44 -12.56 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.855 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -123.5 -26.22 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.75 -40.41 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 72.23 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.73 6.55 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 64.2 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -48.87 107.62 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 75.13 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 73.24 112.294 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.17 30.44 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 76.66 -54.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.95 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.21 86.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.124 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p 62.77 28.88 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 70.35 111.188 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.5 tp 65.03 167.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 54.45 110.898 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -81.1 168.41 25.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.714 0.769 . . . . 72.41 110.853 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.75 8.09 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 2.283 . . . . 65.14 112.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 41' ' ' SER . 3.4 pt-20 -50.01 -35.68 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -90.34 -22.56 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -72.21 -21.34 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.893 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -78.37 -31.63 48.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -85.23 -31.26 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 65.35 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.944 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -56.71 -22.14 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.859 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -23.27 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.877 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.11 -47.8 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.884 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -44.07 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -53.57 -35.34 60.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.95 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.845 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.31 -63.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 75.35 111.125 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -63.21 -16.41 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.79 -43.61 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.6 -32.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 75.3 110.884 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 p -55.73 -20.81 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.185 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.17 -45.66 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.867 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.89 -41.75 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.898 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.84 -44.1 86.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 5.9 t-20 -53.71 -23.19 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 54.12 110.861 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -31.43 29.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -84.66 -51.24 6.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.913 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.3 mmt -63.91 -14.57 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -27.72 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.891 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 -27.87 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -102.67 7.81 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.6 p -51.47 -25.17 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.26 -39.5 86.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.34 110.908 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -21.25 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.847 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -82.86 -50.77 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.875 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -22.75 46.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.913 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.21 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.067 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -50.19 -36.65 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.87 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -38.01 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 64.23 110.911 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.43 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -88.99 -21.43 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 74.53 110.886 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.02 -46.86 75.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -37.77 28.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.04 110.896 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -87.56 -26.74 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.915 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.633 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -52.77 -54.87 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.958 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.633 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -44.87 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.906 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.881 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.757 0.313 . . . . 75.41 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -19.02 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.11 111.093 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.38 -54.87 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.04 111.16 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p -46.05 -35.26 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 65.2 111.12 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -86.27 -36.34 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.953 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -19.61 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 63.42 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.36 -40.21 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.893 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -80.62 -37.72 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 72.33 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.84 61.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 74.32 111.125 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.37 -36.33 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 71.01 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -89.23 -27.1 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -23.98 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -15.57 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 70.22 110.892 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -96.55 -1.68 46.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -112.22 -44.14 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.939 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 49.26 30.79 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.872 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.71 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.09 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -86.21 -60.28 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.892 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -30.19 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.21 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.21 68.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.13 111.095 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -86.03 -16.88 36.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 73.53 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -82.19 -34.86 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.88 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 tpt -69.61 -35.59 75.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.52 110.848 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -20.8 59.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.877 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -81.19 -0.06 38.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.846 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.55 -36.52 55.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.51 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -24.42 56.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.887 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -75.72 -17.43 59.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.921 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -53.35 -22.41 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.61 -59.51 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.71 -27.21 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 74.03 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.17 9.85 30.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 52.31 111.098 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.46 -21.44 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 62.02 110.881 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 158.13 0.97 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 74.44 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.96 22.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 73.53 112.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.37 30.14 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 75.7 -59.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.889 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -41.87 52.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 71.24 111.136 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.5 p 47.91 44.03 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.137 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.14 153.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -92.91 166.33 16.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.684 0.754 . . . . 73.42 110.878 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.1 Cg_endo -69.82 9.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 75.14 112.329 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 41' ' ' SER . 5.5 pt-20 -49.84 -35.66 23.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -23.22 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 70.41 110.852 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -21.47 60.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.06 -34.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.06 -46.48 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -54.25 -23.93 16.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.9 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -18.39 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 75.11 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.72 -21.33 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -46.15 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -45.02 61.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.11 110.922 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -24.84 16.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -30.93 23.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.904 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.84 -62.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.115 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.78 -15.29 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.85 -38.24 54.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.05 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -34.62 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.102 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.59 -40.07 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 70.31 110.86 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -84.23 -30.38 25.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -40.63 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.25 -21.02 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 72.53 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -37.97 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.887 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -43.9 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.876 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mmt -74.48 -6.06 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.855 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -19.12 48.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.09 -30.68 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -102.91 1.19 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -62.89 -16.11 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.1 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -85.89 -21.44 28.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.837 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -78.66 -47.78 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -54.85 -22.7 15.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.871 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.05 -29.82 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.096 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.97 -33.65 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.34 86.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.072 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -87.68 -20.61 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 75.3 110.885 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.5 -47.0 57.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.884 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -24.55 64.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.73 -22.59 27.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.892 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.403 HE22 ' NE2' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -48.71 -57.16 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.905 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.403 ' NE2' HE22 ' A' ' 83' ' ' GLN . 5.1 tp-100 -82.8 -47.85 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.91 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -47.99 -33.43 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.896 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -92.77 -33.0 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.02 110.888 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.4 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.45 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -112.59 32.32 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.892 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -169.5 70.32 0.67 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 75.23 110.845 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 110.78 2.63 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.265 . . . . 70.54 112.361 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.92 -71.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 62.31 112.475 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 74.12 110.935 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 73.5 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 -18.39 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 50.5 111.088 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -53.75 -64.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.154 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -85.41 -21.7 28.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.13 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.4 -54.02 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -20.37 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 64.52 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -87.55 -36.91 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.64 -38.27 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.67 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.76 -28.44 21.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.145 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -30.47 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.14 -28.93 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.906 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.46 37.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.884 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.49 -1.6 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.04 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.01 -42.45 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.929 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 51.21 32.02 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.82 -63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.121 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -86.61 -60.49 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -52.35 -27.13 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.831 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.58 -36.53 63.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.3 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -22.36 29.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -40.86 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.32 110.94 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -32.67 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.03 110.849 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -56.64 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.907 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -85.26 -0.59 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.85 -37.59 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -51.63 -32.69 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.58 -51.37 7.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.45 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -22.0 52.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.868 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.98 -41.32 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.849 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -62.04 -16.82 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.86 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 -24.35 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.02 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 1.55 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.859 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 160.9 0.65 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 74.21 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 76.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 75.13 112.361 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -124.42 -51.75 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 75.35 110.881 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -117.48 -24.75 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 -14.82 30.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t 38.01 42.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 72.01 111.168 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.34 156.87 17.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.878 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.21 166.93 15.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 74.44 110.874 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.74 8.73 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 75.02 112.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -50.9 -32.59 21.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.894 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ptm -88.56 -25.37 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 64.42 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -22.13 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.858 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -85.01 -33.37 22.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -82.82 -45.5 14.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 63.35 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -53.95 -24.42 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.914 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.7 -19.24 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -85.57 -22.33 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.62 -49.07 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.85 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -45.56 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -52.26 -29.26 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.07 -30.68 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.873 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 28.7 mm -49.22 -60.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.121 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.03 -20.97 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -62.19 -50.85 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.87 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 168.21 29.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 73.11 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.45 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -87.18 -35.54 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 74.0 111.142 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.99 -30.71 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.887 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -83.38 -31.45 26.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -41.43 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.67 -26.18 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 75.41 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -33.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 75.05 110.92 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -84.01 -51.28 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.75 -10.13 54.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.29 -22.09 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.45 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.19 -33.98 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.45 7.08 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.875 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -9.84 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.877 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -42.37 97.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -86.27 -21.54 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.04 -51.36 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.902 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.96 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.905 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.44 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.081 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.69 -37.14 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.921 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -49.83 -36.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.826 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.3 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.31 111.099 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -87.3 -21.84 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.16 -42.45 63.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.935 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -26.93 68.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.885 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -83.83 -41.71 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -55.59 -25.09 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.92 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -45.39 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.894 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -84.37 -36.41 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.15 -54.58 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.866 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.63 -58.96 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.08 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 56.83 24.13 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.878 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -114.51 72.48 2.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 73.52 110.891 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -27.03 26.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 74.41 112.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.23 -45.74 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.457 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 75.34 110.888 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 73.22 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.45 -18.56 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.24 111.1 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -64.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.126 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -90.73 -20.15 22.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 74.04 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.69 -54.92 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.07 -20.52 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -87.4 -36.65 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.99 -38.84 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 72.42 110.883 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.65 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.2 111.094 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.28 -30.51 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.34 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -87.71 -29.44 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.962 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.25 -24.21 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -15.54 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.903 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.7 -0.73 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.864 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mt -108.08 -47.09 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 50.93 26.26 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.856 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.29 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.4 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -58.64 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 72.4 110.922 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.07 -49.28 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.889 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.5 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 73.2 111.115 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -23.68 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -39.61 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 71.42 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -59.86 -39.1 84.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.42 110.855 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.04 -21.11 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.2 0.75 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.809 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -35.04 36.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -57.5 -26.46 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.894 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -83.45 -16.33 46.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -51.4 -22.57 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -49.38 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.41 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -73.68 -25.18 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.853 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.19 10.2 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.12 111.093 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.78 -21.31 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.52 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 162.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 73.23 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 138.7 38.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 75.11 112.367 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.05 30.1 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.89 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.91 -58.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 73.44 110.879 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.31 49.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.1 p 48.42 33.95 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.33 111.156 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 168.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -93.22 166.93 15.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 74.34 110.885 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 9.54 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 73.22 112.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -52.36 -26.8 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.836 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -31.32 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.886 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -68.91 -22.85 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.882 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.3 -33.98 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.33 110.849 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -83.75 -48.35 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.09 -24.0 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -20.02 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.866 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -22.37 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -47.48 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.864 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.62 62.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.896 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -53.3 -26.82 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 70.43 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -31.73 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.862 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.1 mt -51.87 -62.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 75.12 111.112 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.82 -15.31 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.34 -39.1 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 54.2 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 177.41 -32.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -45.86 -34.31 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.16 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.52 -36.87 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.847 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.69 -39.77 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.902 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -41.66 88.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.55 110.877 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -52.65 -24.97 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.92 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -32.67 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -84.09 -52.14 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.95 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -12.36 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.23 110.906 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -24.47 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.842 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 53.52 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -102.93 7.64 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.1 p -62.25 -16.46 53.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 54.04 110.885 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.94 -41.55 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.869 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -21.41 28.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -79.97 -51.43 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.898 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -58.31 -22.77 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.35 110.888 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.67 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.072 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.41 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.929 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.19 -36.59 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 65.21 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.1 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.12 111.099 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -87.65 -22.39 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.15 110.883 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.82 -42.21 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.895 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.77 -26.74 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.946 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -44.57 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 65.13 110.906 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -27.98 40.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.938 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -43.53 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.01 110.939 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -84.27 -38.7 20.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -51.81 -47.44 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.91 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -58.7 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 64.53 111.117 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 57.65 23.45 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -119.7 69.09 12.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 72.03 110.847 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.84 30.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 74.4 112.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.08 145.18 19.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 34.2 112.517 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 70.41 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.807 0.337 . . . . 62.34 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.8 -18.25 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 70.51 111.102 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -64.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.23 111.13 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -40.03 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.4 111.166 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -69.18 -43.29 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 73.03 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.39 -20.84 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 71.24 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.38 -36.64 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -81.65 -39.09 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.31 110.873 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -19.89 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 65.4 111.102 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.61 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 64.44 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -88.23 -29.81 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -25.11 31.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.927 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -16.51 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.853 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.95 -0.9 33.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.836 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -114.35 -43.41 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.912 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 43.6 m-20 50.51 35.0 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.89 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.41 -61.54 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.087 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -85.52 -61.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.11 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.01 -54.15 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 72.24 110.867 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.51 -22.47 55.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.088 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -85.36 -33.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.874 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -79.7 -35.7 38.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -55.7 -28.54 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.14 110.852 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -21.27 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.838 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.49 0.02 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -36.47 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -24.02 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 54.41 110.885 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -79.97 -17.48 52.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -22.61 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.25 110.825 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.4 -59.35 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 74.45 110.932 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.5 -27.28 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 9.87 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 70.05 111.063 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -56.6 -21.21 25.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.11 110.897 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.23 162.33 0.52 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.52 110.837 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.78 21.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 74.44 112.332 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.86 29.98 7.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.843 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.87 -58.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.99 -29.61 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.108 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t 39.43 40.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.14 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.89 157.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.947 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -92.93 166.35 16.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 75.21 110.838 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.73 8.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 74.15 112.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.3 pt-20 -50.13 -33.43 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.838 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.46 -26.28 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -21.28 59.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.917 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.72 -34.33 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -84.01 -46.27 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.45 110.842 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -53.5 -24.74 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.91 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -19.76 58.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -84.78 -22.46 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.12 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -48.23 11.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.02 63.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.28 -27.08 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 74.13 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -32.8 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.55 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 71.6 mt -53.9 -62.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 71.12 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.61 -15.61 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 74.4 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -78.67 -36.96 43.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.891 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.1 m -47.65 -32.98 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.128 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -49.75 -33.75 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.2 -41.84 16.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.903 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -40.26 88.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 70.33 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 7.0 t-20 -54.4 -22.47 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.908 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -28.36 22.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.926 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -52.72 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.876 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.82 -11.92 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.865 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -50.83 -26.6 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.891 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -40.16 89.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.875 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -93.26 7.98 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -9.09 42.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.877 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.25 -42.95 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.51 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -86.78 -22.6 25.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.844 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.99 -49.97 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.887 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -21.66 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.48 -28.68 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 73.44 111.056 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -48.92 -38.01 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.851 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -36.39 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.868 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.26 87.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.01 111.097 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -87.15 -21.07 26.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tt -49.38 -49.57 44.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.928 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -31.75 14.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.78 -38.2 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -22.2 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.91 -32.11 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -84.7 -47.42 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.89 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -51.48 -30.51 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 63.01 110.887 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -58.95 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.1 111.108 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 53.72 26.7 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.93 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -86.23 160.43 51.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 75.35 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.94 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.272 . . . . 73.02 112.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.01 -172.86 12.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 73.41 112.491 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.848 0.356 . . . . 74.32 110.884 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.775 0.322 . . . . 70.24 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.15 -22.14 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.35 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -64.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.169 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.8 t -90.89 -20.58 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 64.45 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -75.01 -51.72 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.913 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -19.84 66.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -87.32 -37.41 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -79.63 -38.99 32.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.45 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.13 111.118 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 -29.28 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 63.04 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -87.27 -31.15 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.43 -25.51 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.893 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -11.02 39.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.892 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -105.27 -2.13 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.85 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.39 -41.39 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.919 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.32 38.49 29.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.883 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.62 -65.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -88.8 -60.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.87 -21.97 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.865 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.38 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 55.25 111.119 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -85.17 -14.52 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.844 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -37.71 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 73.01 110.927 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.6 tpp -61.93 -25.55 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.896 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -49.09 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 72.24 110.867 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.69 0.05 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 73.4 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -59.37 -30.41 68.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.91 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -57.03 -33.85 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -52.86 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -59.43 -20.44 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 73.21 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.78 -45.86 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.29 -21.07 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.12 -16.83 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 75.24 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.91 6.0 30.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.59 157.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 74.41 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.55 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 73.22 112.35 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.32 -49.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.82 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -116.55 -26.3 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.865 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . . . -84.36 -22.43 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 54.51 111.104 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.3 t 35.97 66.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.129 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -119.66 169.41 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.55 110.925 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.79 166.52 15.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.699 0.761 . . . . 35.31 110.842 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 9.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.673 2.248 . . . . 74.33 112.369 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' SER . 1.1 pp20? -50.16 -33.5 19.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.883 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -25.73 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.829 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -70.71 -51.94 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.21 -42.32 75.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -62.49 -46.01 90.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.878 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.8 -23.98 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.66 -19.9 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.02 110.874 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -21.82 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.925 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.71 -43.74 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.921 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.16 -44.94 61.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -57.39 -29.26 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.446 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.7 -19.89 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.885 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -65.18 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.34 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -15.49 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.942 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -63.58 -47.95 79.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.875 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.23 42.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.858 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -86.02 -36.8 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 71.15 111.183 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.74 -30.74 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.872 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -29.83 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -57.74 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.894 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.42 -27.85 2.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 72.15 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -42.19 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -85.72 -48.37 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.918 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 tpt -63.84 -14.5 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -22.41 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.806 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.24 -34.53 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -102.98 -3.77 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 p -70.18 -10.3 58.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.23 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -42.32 89.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -85.76 -21.5 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.58 -52.29 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.898 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -52.15 -27.69 15.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 74.52 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.18 -31.87 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.22 111.081 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -36.58 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.936 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -37.46 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.887 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.98 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.53 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -88.03 -22.33 24.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.857 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.6 -43.81 62.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.907 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -31.89 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.932 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -85.66 -35.48 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 72.52 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -23.5 43.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -49.97 -30.98 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -84.15 -52.93 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.906 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.88 -41.72 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.908 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.8 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 71.33 111.068 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 57.01 24.05 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.929 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.94 160.4 74.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 71.4 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.86 38.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.248 . . . . 73.34 112.399 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.83 -78.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 73.34 112.446 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 74.15 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 73.22 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.05 -19.66 13.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.114 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -64.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 63.04 111.146 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -90.59 -20.49 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 75.2 111.171 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.41 -53.83 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.09 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.08 -36.95 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.09 -38.0 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.829 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -16.2 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.32 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.34 111.142 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -89.42 -29.27 19.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.918 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.35 -25.13 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.64 -15.41 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.89 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -1.55 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 72.05 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -93.34 -49.27 6.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.92 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 4.8 m-20 61.76 16.26 7.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.4 -63.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.13 111.109 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -86.62 -58.74 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.83 -56.55 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.02 110.881 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.23 -25.02 30.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 64.34 111.084 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.9 -22.31 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -81.1 -39.85 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.91 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.2 mmt -55.74 -35.6 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -24.49 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -81.59 0.04 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -42.24 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.07 -35.6 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 62.2 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -83.95 -17.83 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.969 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -21.86 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.888 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.38 -55.59 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -57.65 -29.0 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.878 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.53 8.73 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 64.5 111.101 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.23 -21.71 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.864 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.85 108.47 1.0 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.509 0.671 . . . . 72.14 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 98.54 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 74.52 112.344 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -125.19 -51.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.84 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -99.92 -34.61 10.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.94 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 p 51.77 28.81 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.45 111.119 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -82.36 176.16 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -93.49 167.75 13.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 75.4 110.863 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.75 8.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 61.02 112.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -51.9 -30.02 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.866 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -28.78 26.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.54 110.862 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -67.84 -22.99 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.906 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.67 -35.65 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.04 -48.86 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -55.45 -24.97 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.942 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.47 -17.29 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -85.46 -20.93 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.913 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.63 -40.58 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.31 -44.4 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.05 -25.6 22.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -32.77 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.4 mt -52.95 -63.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.138 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.36 -15.1 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.939 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.18 -36.93 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.893 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.31 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.98 -31.4 5.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.147 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.87 -33.2 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.87 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -82.98 -39.57 21.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.67 -34.09 77.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.914 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 9.1 t-20 -67.5 -20.83 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.847 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.84 -36.14 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -84.38 -45.03 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.35 110.892 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.5 mmt -68.65 -11.46 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.883 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.11 -25.59 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.45 110.832 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -61.0 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.883 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -79.15 -10.76 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -69.67 -9.32 53.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.35 110.817 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.13 -43.16 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 53.42 110.846 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -86.42 -21.39 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.78 -22.84 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.06 -30.06 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.43 111.092 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -37.18 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -38.7 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 74.32 110.872 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.75 80.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 40.1 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -89.2 -23.63 22.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.55 -47.92 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.06 -17.78 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.896 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.49 -24.4 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -57.27 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.917 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -82.95 -49.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -46.85 -57.07 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -66.45 -34.29 77.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -58.8 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.102 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.15 -64.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.44 110.929 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CB ' ' CD ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 179.73 -61.12 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 75.34 110.86 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 89' ' ' PHE . 53.3 Cg_endo -69.79 80.95 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 74.44 112.314 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.09 -144.1 14.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 73.02 112.49 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 73.21 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.787 0.327 . . . . 71.14 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.2 -17.95 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.13 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -62.84 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 65.52 111.151 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 p -46.24 -45.64 17.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.03 111.161 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.13 -41.01 74.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 64.4 110.944 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.73 -19.69 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -87.58 -40.32 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.26 -42.88 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.898 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -18.62 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 73.41 111.106 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.84 18.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.11 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -27.76 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.25 -24.09 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.907 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 -17.44 32.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 64.43 110.876 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.28 -1.07 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.54 110.861 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.16 -42.63 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 47.75 34.57 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.85 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.92 -61.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.22 111.085 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -87.08 -51.59 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.895 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -52.76 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 72.22 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.79 -22.46 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.078 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -85.81 -22.62 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -29.4 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.878 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.96 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.869 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.55 -40.36 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -80.83 -0.88 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.882 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.4 -24.61 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.846 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -63.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.937 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -21.85 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -79.0 -7.97 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.871 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -121.84 -20.91 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 75.31 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.71 -40.56 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.088 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.31 6.68 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.11 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.74 106.74 0.65 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.551 0.691 . . . . 74.4 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HG2' ' H ' ' A' ' 36' ' ' ASP . 53.1 Cg_endo -69.81 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 73.03 112.317 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' H ' ' HG2' ' A' ' 35' ' ' PRO . 8.0 m-20 -106.12 28.35 7.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.876 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 76.84 -57.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.865 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -95.67 -56.05 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.43 111.077 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 78.64 -5.13 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 74.01 111.123 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.19 -165.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.946 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -88.9 168.28 16.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 71.35 110.872 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.444 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.38 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 74.42 112.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 41' ' ' SER . 3.0 pt-20 -56.43 -36.11 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.835 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -89.56 -24.84 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.875 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -78.58 -21.32 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 75.24 110.931 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -84.54 -33.33 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.2 -45.6 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.857 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.27 -25.17 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.13 -18.89 63.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 74.34 110.9 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -82.79 -22.42 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 72.33 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -44.59 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.36 -44.98 95.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.888 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -53.24 -24.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 74.05 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.25 -31.66 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 71.02 110.865 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 61.5 mt -51.56 -61.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 74.02 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.37 -14.9 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.861 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -38.26 47.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 74.14 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.91 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.03 -31.0 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.32 111.163 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.14 -34.47 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.897 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -83.89 -41.56 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.9 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.68 -58.33 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -52.34 -22.27 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 72.33 110.858 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.73 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -84.61 -41.95 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.85 -7.53 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.54 110.857 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.34 -26.23 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.65 -30.84 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.844 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.68 7.13 31.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 75.23 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 m -71.39 -8.76 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.855 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.4 -43.48 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.925 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -86.56 -22.99 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 72.41 110.853 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -80.33 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.89 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -23.54 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.12 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 50.11 111.089 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.07 -39.76 75.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.926 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -38.38 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.845 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.37 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.24 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -89.47 -21.7 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.73 -51.97 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.891 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -35.32 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.941 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.22 -29.28 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.904 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.614 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -48.83 -58.32 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.9 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.614 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.1 OUTLIER -78.29 -55.52 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.53 110.874 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.61 -61.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.14 -33.94 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.87 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -26.88 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 72.42 111.089 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -74.26 -26.28 60.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 58.05 71.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.74 . . . . 63.41 110.874 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 134.18 27.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.276 . . . . 73.55 112.383 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -110.66 84.68 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 55.4 112.443 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 74.41 110.894 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.841 0.353 . . . . 74.34 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -17.34 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 75.31 111.113 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -65.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.177 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -88.14 -21.29 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -72.82 -51.78 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 75.25 110.933 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.65 -20.28 66.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -88.2 -37.8 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.864 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -76.18 -38.76 56.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.831 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.85 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.29 -30.27 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 65.23 111.093 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -87.19 -29.75 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.944 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.51 -25.08 64.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.896 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -13.93 25.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -100.17 -1.21 37.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mt -111.85 -42.75 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.885 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 51.77 34.49 13.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.905 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.8 -64.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.01 111.111 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -90.33 -61.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.9 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' H ' ' HG3' ' A' ' 18' ' ' GLU . 1.9 m-85 -54.14 -19.73 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 75.23 110.913 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 -40.76 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.077 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -85.42 -24.9 27.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.91 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.74 -41.29 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.886 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -35.57 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.9 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.13 -21.0 64.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 65.44 110.866 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.89 0.39 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.3 -34.48 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.17 -22.8 52.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -16.1 53.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.45 110.903 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -51.06 -22.99 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.85 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -57.9 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.937 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.43 -26.66 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 74.52 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 10.56 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -21.01 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -49.52 163.06 0.4 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 71.11 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.52 112.367 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.9 m-20 -122.76 30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 76.22 -59.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.87 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.17 -39.51 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.0 p 49.11 40.74 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.158 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.78 153.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.893 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.21 167.4 14.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 64.24 110.865 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 10.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 74.24 112.367 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -54.04 -26.76 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.15 110.924 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -88.07 -22.26 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 65.33 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.13 -24.56 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.06 -38.61 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -77.06 -45.27 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.844 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -52.75 -23.9 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 65.42 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.48 -19.61 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.01 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -22.62 25.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -36.11 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -57.47 -27.42 62.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 70.33 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -77.13 -21.26 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -41.94 14.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.489 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 1.3 tt -57.86 -43.95 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.13 111.135 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.76 -15.67 55.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.942 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 1.4 mm-40 -77.42 -51.02 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.847 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER 165.39 36.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.869 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -84.99 -31.96 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.151 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -50.48 -31.22 14.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.861 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -38.81 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.35 -40.56 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -26.73 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -79.16 -31.46 43.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -82.69 -52.37 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.865 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.96 -10.26 56.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 71.13 110.88 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -20.53 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.39 -39.32 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -102.84 2.99 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.8 p -72.46 -8.81 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.15 -21.49 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.97 -51.89 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.871 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.69 -23.52 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 62.34 110.946 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.54 -31.46 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 63.12 111.098 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -50.19 -38.3 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -36.73 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.881 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.85 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.55 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -88.11 -21.79 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -40.81 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.924 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.75 -31.04 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -85.99 -33.44 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.34 -30.12 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.959 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -50.68 -30.9 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -51.69 -47.57 63.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 75.02 110.901 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.37 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.121 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -77.89 -25.22 48.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.9 t80 52.87 73.18 0.98 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.675 0.75 . . . . 74.23 110.911 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 74.24 112.309 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -109.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 72.32 112.504 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 65.24 110.888 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 75.24 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.85 -18.12 20.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 62.43 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.144 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.34 -21.41 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 55.24 111.096 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -72.91 -51.68 17.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.01 110.906 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.25 -20.96 66.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -89.25 -37.4 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.863 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -78.47 -39.12 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.878 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.04 -19.67 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.23 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.73 -33.54 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 71.41 111.107 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -28.51 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 72.43 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.72 -30.49 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 73.14 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.52 -16.7 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -97.36 -1.83 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.893 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -103.64 -45.89 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.909 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 58.89 20.85 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.38 -59.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.114 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -85.93 -49.75 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.877 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -51.67 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.886 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.36 -25.06 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 74.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -27.1 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -61.83 -48.45 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.897 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -25.65 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.89 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -83.84 -19.82 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.71 0.06 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 63.31 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.6 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 60.44 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.81 -36.14 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.891 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -83.47 -16.29 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.54 110.915 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -51.59 -22.29 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -76.89 -47.24 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 75.31 110.909 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -76.15 -25.1 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.2 10.3 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.3 111.091 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.63 -21.22 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.819 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.5 157.94 0.87 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 74.24 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.42 67.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 62.4 112.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -121.26 27.69 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.863 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.77 -58.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.895 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -32.23 16.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.21 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t 38.42 41.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 70.51 111.131 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 174.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 64.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -94.59 167.04 13.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 73.44 110.834 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.77 9.33 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 70.12 112.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -53.55 -25.91 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.901 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -79.35 -30.04 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.01 110.901 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -67.5 -23.76 65.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.933 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.91 -35.67 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -80.61 -48.5 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.55 -24.21 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.955 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -19.82 54.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 65.32 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -21.96 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 73.24 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.58 -42.49 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -52.99 -22.94 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -33.89 24.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 2.3 tt -59.71 -36.82 68.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.176 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.62 -15.59 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.24 -37.34 33.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 62.13 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.2 m -45.44 -31.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 73.13 111.11 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.13 -39.65 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 74.3 110.846 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -83.37 -31.91 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -37.0 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.883 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.85 -24.32 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -80.67 -32.53 36.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -52.64 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 75.24 110.943 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.21 -6.91 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -22.25 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.866 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.26 -38.17 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -103.42 6.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.8 p -70.67 -9.69 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.13 -41.15 95.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 71.11 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -86.33 -21.4 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -80.37 -50.39 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 75.4 110.867 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.69 -23.08 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.03 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.35 111.09 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -48.82 -43.98 38.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.51 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -47.93 -35.26 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.44 90.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 64.01 111.127 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.11 -21.7 36.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.07 -40.53 58.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 73.24 110.901 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.907 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.92 -47.77 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 70.44 110.85 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -22.53 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -50.27 -30.38 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -78.87 -45.9 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.961 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.08 -33.17 75.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.8 -53.77 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.33 111.12 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -97.94 33.49 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.926 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 63.24 160.47 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 72.3 110.888 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.8 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 75.14 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -158.05 115.5 0.66 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 71.21 112.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.22 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 73.04 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.94 -27.37 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 73.21 111.109 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -54.76 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 64.31 111.159 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.64 -41.19 41.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.166 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -41.43 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.898 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -65.34 -21.39 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 65.43 110.853 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.89 -41.1 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -45.57 87.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 60.22 110.906 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.21 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 52.34 111.085 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -32.35 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 64.23 111.091 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -15.3 38.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 64.31 110.882 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 mt -97.16 -38.82 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.936 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.99 -17.07 35.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 64.53 110.869 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.25 -0.93 56.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.846 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.82 -52.26 2.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 70.45 110.893 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 46.46 28.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.24 110.848 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.75 -63.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.44 111.066 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -86.39 -61.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.888 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.69 16.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.846 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.01 81.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.02 111.077 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -85.64 -27.25 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.913 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -78.02 -40.27 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.889 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 tpt -55.24 -35.33 64.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 55.4 110.844 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.43 -20.85 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 70.2 110.942 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.22 0.18 33.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 64.33 110.91 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.45 -28.62 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -57.85 -20.9 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -78.27 -16.41 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -22.47 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -78.28 -53.03 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.857 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -66.56 -27.42 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.86 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 10.56 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.135 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -56.02 -21.57 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.3 110.89 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 156.48 1.64 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 74.43 110.882 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 92.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 74.02 112.317 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 13.9 m-20 -124.85 27.93 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.835 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.5 tt0 80.74 -34.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' ASP . . . -76.74 -2.14 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 p -77.26 49.53 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.46 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.943 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -91.51 165.89 19.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 74.01 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.8 7.97 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.685 2.257 . . . . 75.33 112.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 41' ' ' SER . 6.6 pt-20 -49.18 -42.75 40.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.411 ' N ' ' CG ' ' A' ' 43' ' ' GLU . 4.6 mtt -93.24 -19.29 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -64.55 -20.27 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -84.27 -35.56 23.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.924 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -35.72 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 63.51 110.84 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -54.48 -25.17 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.43 -18.78 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -83.28 -21.69 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -79.26 -51.77 9.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.889 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -55.4 -24.49 30.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.45 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 mtm -87.2 -30.88 20.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -51.66 -62.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.33 111.153 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -38.39 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.75 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.32 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.59 -34.03 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.193 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.04 -36.65 70.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.863 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -83.21 -28.48 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -74.74 -34.54 62.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.908 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.85 -22.23 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.89 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -87.09 -28.46 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.871 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.41 -52.55 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.878 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -8.19 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.53 110.879 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.22 -21.28 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.87 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -35.38 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -103.02 7.14 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 70.1 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.9 p -69.37 -10.74 59.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.841 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -37.68 58.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.847 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.9 -21.54 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -75.24 -53.02 9.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.886 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -27.56 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.89 -42.44 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.43 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -56.05 -34.18 65.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.917 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -47.06 -40.76 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.62 80.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.31 111.109 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -86.6 -22.82 26.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.13 -50.52 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 75.23 110.91 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.34 -30.68 71.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -80.18 -25.26 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.25 -54.67 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.959 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -47.66 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.88 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -49.24 -32.21 10.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.902 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.31 -44.52 78.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.56 -58.77 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.142 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 57.6 23.45 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.99 160.51 2.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 72.44 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.82 34.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 54.42 112.362 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.9 -70.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 51.53 112.505 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 pttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 75.1 110.872 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.21 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.36 -21.01 33.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.089 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -51.56 -41.32 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.52 111.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -21.66 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 74.35 111.154 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -87.31 -43.35 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.892 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -22.91 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -88.79 -37.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.21 -41.03 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -19.49 41.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.23 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.82 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -24.53 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.42 110.937 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -23.48 37.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.45 110.923 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -14.55 20.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -101.14 -1.71 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.83 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -41.17 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.51 110.922 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 50.02 38.71 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.864 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.56 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.03 111.129 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -86.03 -52.37 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.89 -46.96 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 63.32 110.846 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -22.94 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -23.73 26.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.13 110.883 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -92.89 -33.8 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.887 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -27.46 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.839 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -20.92 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.88 -0.13 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.924 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -49.97 -42.43 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.19 -33.48 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -83.38 -17.44 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.55 110.932 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -55.36 -21.43 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -27.62 61.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -104.2 -11.64 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.18 -9.62 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.88 -21.99 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.907 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 108.57 1.02 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 75.41 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.29 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 72.52 112.335 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.62 -51.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -110.72 -28.93 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.09 -57.83 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 60.23 111.06 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p 50.85 32.51 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.171 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.26 163.5 27.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.887 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -93.43 166.98 14.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.691 0.758 . . . . 74.01 110.846 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.7 9.34 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 75.14 112.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 41' ' ' SER . 1.3 pt-20 -56.01 -38.88 71.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.851 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mmm -91.11 -22.32 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.872 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -65.31 -35.5 81.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -34.86 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -72.85 -41.68 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.11 -24.08 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.897 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.18 -19.29 61.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 73.15 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.8 -22.74 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 75.35 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -49.46 10.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.864 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -44.97 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 64.34 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -52.44 -32.05 37.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -34.1 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.844 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.7 mt -55.48 -64.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.153 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -64.02 -16.09 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.865 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.79 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 p -54.54 -22.0 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.186 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -47.82 -48.99 30.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -68.94 -39.97 79.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.56 -44.62 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.847 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -53.34 -23.12 8.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -83.46 -30.33 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.894 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -52.05 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 72.3 110.892 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mmt -65.0 -13.22 57.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.908 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -53.08 -25.42 12.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.885 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.27 -34.94 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.54 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -102.78 -4.38 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.837 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -71.99 -8.47 54.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.866 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.81 -43.09 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.884 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -21.94 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.901 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -81.59 -49.78 10.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.875 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -23.47 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.13 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.04 111.098 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.01 -38.01 69.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -37.86 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.45 110.859 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.51 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 63.32 111.101 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -87.9 -21.22 25.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.47 -38.67 72.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.909 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.35 -30.6 69.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.902 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -84.89 -29.93 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.909 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -50.75 -55.58 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.99 -54.41 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.99 -59.91 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 75.55 110.925 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -61.37 -31.53 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.908 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.14 -11.78 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.32 111.106 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -49.64 -31.19 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.921 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CB ' ' CD ' ' A' ' 90' ' ' PRO . 0.3 OUTLIER 180.0 -60.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 75.35 110.878 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 89' ' ' PHE . 53.8 Cg_endo -69.8 -168.23 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.245 . . . . 73.32 112.368 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 -97.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 73.11 112.473 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 pttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 75.43 110.932 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 71.34 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.89 -18.49 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.108 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -55.36 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 73.44 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 p -47.7 -42.59 25.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.175 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -79.65 -34.19 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.9 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.34 -20.23 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.64 -38.74 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 73.51 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -80.24 -39.14 29.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.903 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -16.43 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 70.43 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.53 -34.31 20.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -89.71 -26.95 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 64.11 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.79 -22.99 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.89 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -10.24 31.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.865 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -1.56 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.891 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.51 -42.15 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 58.23 43.44 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 65.32 110.853 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.94 -64.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.114 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -88.17 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.877 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.32 -23.37 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.904 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.61 -35.64 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 54.2 111.127 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -84.84 -24.28 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -46.04 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 73.52 110.911 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.3 mmm -54.05 -30.29 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 70.35 110.879 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -20.43 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.55 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.36 -0.47 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.52 110.828 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -50.36 -44.47 54.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 72.43 110.904 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -55.52 -31.13 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.872 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.3 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.868 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -22.98 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -57.58 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 72.2 110.849 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -62.16 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.2 110.858 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.21 7.99 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.02 -20.85 26.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 55.42 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 156.41 1.27 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 73.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.81 24.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 75.11 112.329 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.35 29.45 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.817 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.28 -59.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.907 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 40' ' ' LEU . . . -74.1 -62.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 72.03 111.11 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER 78.28 -34.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 74.41 111.136 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 38' ' ' ALA . 13.9 tp 63.76 156.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.923 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -93.19 166.23 16.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.661 0.744 . . . . 64.33 110.841 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.14 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.638 2.225 . . . . 73.22 112.355 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.8 pt-20 -49.66 -36.52 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -23.15 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -77.64 -21.33 52.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -83.99 -34.26 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 63.5 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -84.04 -45.68 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -52.61 -23.48 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.928 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.43 -20.06 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.34 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -22.05 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.91 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -85.79 -31.79 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.887 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -28.2 55.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -22.05 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -21.51 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.866 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' A' ' 59' ' ' THR . 9.9 tt -87.76 -44.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.34 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -73.93 -9.6 58.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -76.86 -43.38 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.38 54.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.874 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -85.91 -33.6 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 71.34 111.149 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -49.38 -34.57 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.905 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -85.74 -35.05 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -62.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.861 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -46.78 -34.92 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -61.6 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.907 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -48.64 10.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.843 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.78 -10.67 39.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 75.01 110.917 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -54.35 -23.69 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.914 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.94 -33.78 72.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.913 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -103.2 -14.44 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -56.93 -21.4 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.852 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.61 -50.63 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.88 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -84.12 -23.08 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.2 -47.57 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -53.56 -23.53 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.22 -31.08 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.12 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -49.84 -36.33 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 75.4 110.919 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -38.25 21.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 75.13 111.117 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -88.0 -21.61 24.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.908 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.19 -52.05 60.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -33.94 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.43 110.934 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.27 -32.57 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.58 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 61.42 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.43 -53.13 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 72.42 110.905 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -47.7 -33.69 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.891 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -68.1 -48.44 65.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 71.1 110.893 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.09 -57.64 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 54.13 111.131 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 58.8 22.38 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.24 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -144.5 71.59 15.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 73.4 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 159.74 52.31 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.728 2.285 . . . . 73.24 112.363 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -112.6 -39.91 1.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 64.34 112.487 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 pttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 74.01 110.906 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 75.14 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.6 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.24 111.114 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 72.25 111.204 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.74 -19.68 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 72.53 111.143 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -77.61 -54.08 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.35 -19.93 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.914 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.89 -37.38 17.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.02 -39.54 41.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.45 110.852 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.26 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 52.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.21 -30.69 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.2 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -30.73 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 71.42 110.879 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.35 -24.65 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -14.06 19.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.41 110.87 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 mtp85 -105.58 -1.4 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.895 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.95 -42.73 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 54.21 36.78 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.85 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.77 -63.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 62.13 111.133 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.09 -62.55 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -53.3 -24.52 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 73.02 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.119 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -23.4 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -77.58 -43.92 30.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 75.55 110.884 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -34.85 64.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.51 110.854 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.2 -20.51 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.882 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.56 0.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.03 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -51.57 -37.18 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -58.16 -23.87 56.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.887 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.66 -15.15 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.917 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.24 -23.17 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.853 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -49.41 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.887 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -74.31 -24.62 59.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.877 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.37 10.35 29.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.45 111.104 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.67 -21.31 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.54 160.41 0.59 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 73.42 110.884 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 34' ' ' LYS . 53.6 Cg_endo -69.76 134.72 28.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 75.3 112.336 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.8 m-20 -122.73 32.35 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.85 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.4 tt0 77.78 -56.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.907 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.65 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 64.45 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m 76.73 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.164 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 40' ' ' LEU . 2.1 tm? 63.39 131.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -95.76 165.47 16.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 71.32 110.831 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 12.8 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 73.24 112.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -53.88 -28.11 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 63.25 110.878 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mmt -87.9 -19.97 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -24.79 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.46 -44.8 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -51.97 -23.96 5.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 75.01 110.953 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.86 -21.58 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.52 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -88.42 -22.6 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -45.09 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.853 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -45.46 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 64.11 110.908 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -54.48 -27.72 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.929 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -24.02 22.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.87 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 45.8 mt -55.99 -61.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.136 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -71.36 -16.15 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 2.4 tt0 -65.92 -51.49 58.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER 167.45 38.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.865 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.439 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -85.5 -27.01 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 75.03 111.136 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.87 -31.58 68.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.828 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -84.25 -30.33 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -48.36 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -53.43 -22.43 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.34 58.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.898 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -44.82 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.92 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mmt -72.99 -7.14 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.877 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -22.74 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.852 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -29.2 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -103.4 -21.43 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 p -54.57 -23.32 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.837 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.39 -55.08 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.34 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.08 -22.5 27.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.843 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -73.11 -51.76 16.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.885 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -51.53 -26.76 9.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.12 -30.88 22.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.146 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -50.3 -37.34 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.861 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -37.34 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.877 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.95 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -88.08 -21.73 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -42.76 62.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.936 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.967 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.82 -25.37 26.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.877 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -56.7 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.921 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.7 -50.04 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.77 -61.64 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.3 -35.11 74.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 74.14 110.87 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.88 92.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.103 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -63.41 -25.61 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.934 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.98 141.1 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 74.04 110.854 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 154.07 68.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 64.42 112.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.12 173.33 32.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 65.32 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 72.11 110.924 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 73.33 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.54 -22.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.54 111.142 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.21 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.15 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -89.87 -20.57 23.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 74.32 111.131 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.36 -53.29 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.15 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.47 -16.76 64.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 64.41 110.871 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.45 -43.2 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.859 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' C ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.24 -39.52 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.926 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 8' ' ' PHE . . . -62.59 -15.08 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 51.54 111.082 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.29 -32.93 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.11 111.145 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -88.55 -29.9 19.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.97 -38.36 88.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.934 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -12.77 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 72.32 110.869 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -97.44 -1.57 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 -44.66 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.934 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 48.87 37.32 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.3 110.852 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.3 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.073 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -19.71 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 72.32 110.856 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.81 70.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 74.04 111.076 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.3 -20.83 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.951 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.95 -42.38 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.2 tpt -56.97 -31.76 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.853 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -0.51 53.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.01 110.861 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -33.3 75.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -29.38 14.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -83.36 -52.39 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -21.54 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -70.45 -48.36 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.907 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -53.8 -25.36 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.25 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.64 -21.47 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.68 5.91 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.864 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.78 157.26 1.06 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 72.03 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 75.12 112.366 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -124.16 -36.38 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.861 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.01 -31.83 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.869 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.99 -20.99 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.54 111.089 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t 37.29 43.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 74.14 111.179 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.72 177.15 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.95 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -94.04 166.51 15.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 71.53 110.876 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 10.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 72.51 112.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -51.3 -31.65 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 72.24 110.848 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -88.91 -25.81 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.854 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -20.64 40.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.26 -35.04 28.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 71.11 110.885 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -84.16 -45.15 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.42 -23.57 16.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.926 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.18 -17.16 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.15 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -22.15 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -32.72 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.54 -31.35 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.929 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.948 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -22.09 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.918 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.441 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 10.3 tt -82.6 -43.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.24 111.115 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -80.98 -11.73 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -46.57 60.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.32 48.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -86.36 -31.48 21.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.02 111.141 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.55 -33.89 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.872 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -86.0 -31.79 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.884 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.4 -59.49 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.873 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.41 -33.89 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.34 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -41.72 95.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.865 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -84.13 -47.59 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 73.35 110.933 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -64.88 -12.58 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.86 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -20.14 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.92 -32.11 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.15 110.882 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -102.9 7.53 39.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 63.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.0 p -58.85 -19.69 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.896 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -43.45 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 73.41 110.858 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.77 -21.33 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.74 -52.23 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.922 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.19 -23.64 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.896 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.52 -31.61 24.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 72.53 111.129 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -26.92 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.97 84.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.4 -31.7 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.092 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -78.86 -20.94 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -46.42 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.43 -34.69 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.911 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -85.93 -32.54 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.42 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -53.53 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.898 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.2 OUTLIER -66.28 -53.03 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 71.34 110.907 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -48.53 -33.62 9.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.866 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -64.67 -43.75 92.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.87 -57.8 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 65.45 111.114 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 57.15 23.68 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.44 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.34 160.5 49.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 74.23 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 135.8 31.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 70.14 112.334 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.54 -179.04 46.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 65.44 112.471 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.8 pttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 75.41 110.902 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.769 0.318 . . . . 74.5 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.06 79.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 52.23 111.086 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -48.3 -46.03 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.129 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.55 -47.66 10.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.18 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -84.12 -40.12 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.75 -19.93 62.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -89.46 -40.76 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -67.5 -43.74 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.872 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.16 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.112 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.8 -32.03 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.52 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 -16.36 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.35 110.873 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.62 -29.55 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.11 -18.42 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.86 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -96.2 -1.15 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -113.49 -43.18 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 16.7 m-20 47.19 34.41 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.851 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.32 -59.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.104 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.8 -60.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.86 -46.5 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.897 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.52 -35.78 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 75.44 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -15.17 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.74 -29.13 16.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.869 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -30.14 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.45 110.902 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -81.22 -48.2 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.918 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -0.31 41.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.13 110.887 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -46.1 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.79 -38.53 48.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.833 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -83.84 -36.14 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -66.56 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -72.44 -12.56 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.855 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -123.5 -26.22 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.75 -40.41 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 72.23 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.73 6.55 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 64.2 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -48.87 107.62 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 75.13 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 73.24 112.294 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.17 30.44 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 76.66 -54.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.95 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.21 86.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.124 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p 62.77 28.88 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 70.35 111.188 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.5 tp 65.03 167.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 54.45 110.898 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -81.1 168.41 25.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.714 0.769 . . . . 72.41 110.853 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.75 8.09 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 2.283 . . . . 65.14 112.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 41' ' ' SER . 3.4 pt-20 -50.01 -35.68 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -90.34 -22.56 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -72.21 -21.34 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.893 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -78.37 -31.63 48.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 73.14 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -85.23 -31.26 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 65.35 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.944 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -56.71 -22.14 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.859 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -23.27 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.877 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.11 -47.8 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.884 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -44.07 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -53.57 -35.34 60.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.95 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.845 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.31 -63.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 75.35 111.125 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -63.21 -16.41 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.79 -43.61 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.6 -32.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 75.3 110.884 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 p -55.73 -20.81 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.185 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.17 -45.66 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.867 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.89 -41.75 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.898 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.84 -44.1 86.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 5.9 t-20 -53.71 -23.19 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 54.12 110.861 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -31.43 29.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -84.66 -51.24 6.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.913 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.3 mmt -63.91 -14.57 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -27.72 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.891 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 -27.87 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -102.67 7.81 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.6 p -51.47 -25.17 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.878 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.26 -39.5 86.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.34 110.908 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -21.25 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.847 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -82.86 -50.77 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.875 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -22.75 46.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.913 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.21 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.067 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -50.19 -36.65 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.87 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -38.01 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 64.23 110.911 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.43 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -88.99 -21.43 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 74.53 110.886 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.02 -46.86 75.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -37.77 28.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.04 110.896 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -87.56 -26.74 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.915 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.633 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -52.77 -54.87 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.958 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.633 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -44.87 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.906 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -53.07 -45.56 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.881 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -51.96 -30.07 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.23 -58.95 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.51 111.097 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.19 24.64 8.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.54 110.948 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -132.58 69.36 79.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 71.14 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -171.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 70.42 112.317 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.66 -41.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 73.1 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 pttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 74.21 110.92 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.757 0.313 . . . . 73.109999999999999 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.56 -19.02 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 111.093 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.38 -54.87 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.239999999999995 111.16 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.497 HG22 ' CB ' ' A' ' 84' ' ' GLN . 71.0 p -46.05 -35.26 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 54.5 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -86.27 -36.34 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 110.953 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -19.61 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 63.420000000000002 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.36 -40.21 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 110.893 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 80' ' ' LEU . 1.6 m-85 -80.62 -37.72 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.109999999999999 110.89 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.84 61.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 111.125 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.37 -36.33 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.350000000000001 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -89.23 -27.1 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -71.9 -23.98 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 42.329999999999998 110.909 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -15.57 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 70.219999999999999 110.892 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -96.55 -1.68 46.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 55.329999999999998 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mt -112.22 -44.14 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 70.109999999999999 110.939 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 59' ' ' THR . 25.7 m-20 49.26 30.79 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 65.040000000000006 110.872 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -97.71 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 111.09 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -86.21 -60.28 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.892 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.01 -30.19 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.209999999999994 110.955 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.21 68.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.129999999999995 111.095 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HG2' ' ND2' ' A' ' 63' ' ' ASN . 4.0 mmmt -86.03 -16.88 36.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 71.140000000000001 110.926 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -82.19 -34.86 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.88 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.484 ' HB3' HD11 ' A' ' 55' ' ' ILE . 8.9 tpt -69.61 -35.59 75.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.299999999999997 110.848 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -20.8 59.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.430000000000007 110.877 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -81.19 -0.06 38.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.846 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.55 -36.52 55.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.340000000000003 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -24.42 56.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 53.509999999999998 110.887 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -75.72 -17.43 59.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 110.921 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -53.35 -22.41 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.61 -59.51 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.71 -27.21 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 72.340000000000003 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.17 9.85 30.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 43.450000000000003 111.098 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.46 -21.44 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 61.210000000000001 110.881 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 158.13 0.97 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 74.439999999999998 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.96 22.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 73.530000000000001 112.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.37 30.14 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 70.129999999999995 110.906 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 39' ' ' THR . 4.7 tt0 75.7 -59.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.889 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -41.87 52.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 71.239999999999995 111.136 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' GLU . 47.5 p 47.91 44.03 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.137 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.14 153.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.91 166.33 16.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.684 0.754 . . . . 62.210000000000001 110.878 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.1 Cg_endo -69.82 9.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 75.140000000000001 112.329 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 5.5 pt-20 -49.84 -35.66 23.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 60.299999999999997 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -23.22 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 70.409999999999997 110.852 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -21.47 60.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.06 -34.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.06 -46.48 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -54.25 -23.93 16.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.9 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -18.39 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.72 -21.33 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.349999999999994 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -46.15 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 61.219999999999999 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -45.02 61.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.109999999999999 110.922 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -24.84 16.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 73.200000000000003 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -30.93 23.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 110.904 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 23' ' ' MET . 62.2 mt -51.84 -62.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.115 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.78 -15.29 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.510000000000005 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.85 -38.24 54.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 64.230000000000004 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.05 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -46.51 -34.62 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 111.102 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.59 -40.07 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 70.310000000000002 110.86 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -84.23 -30.38 25.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -40.63 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' A' ' 21' ' ' LYS . 3.0 t30 -57.25 -21.02 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 72.530000000000001 110.876 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -37.97 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.887 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -43.9 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 73.349999999999994 110.876 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -74.48 -6.06 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 71.239999999999995 110.855 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -19.12 48.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 63.439999999999998 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.09 -30.68 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -102.91 1.19 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -62.89 -16.11 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 45.140000000000001 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.430000000000007 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -85.89 -21.44 28.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.129999999999995 110.837 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.758 ' CE1' HD13 ' A' ' 15' ' ' LEU . 21.9 m-85 -78.66 -47.78 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.409999999999997 110.877 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -54.85 -22.7 15.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.871 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.05 -29.82 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.140000000000001 111.096 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HD3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -50.04 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.93 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.97 -33.65 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.34 86.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 61.32 111.072 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -87.68 -20.61 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.885 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 80' ' ' LEU . 10.0 tt -50.5 -47.0 57.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 71.120000000000005 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -24.55 64.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 70.439999999999998 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.73 -22.59 27.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.892 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -48.71 -57.16 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.129999999999995 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 4' ' ' THR . 28.6 tp60 -82.8 -47.85 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 70.230000000000004 110.91 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 65.230000000000004 110.896 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.419 ' H3 ' ' CG ' ' A' ' 84' ' ' GLN . 4.1 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 73.5 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 -18.39 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 33.030000000000001 111.088 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -53.75 -64.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.154 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -85.41 -21.7 28.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 54.100000000000001 111.13 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.4 -54.02 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.209999999999994 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -20.37 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 52.020000000000003 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -87.55 -36.91 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.340000000000003 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.47 ' HD2' HD12 ' A' ' 80' ' ' LEU . 3.9 m-85 -79.64 -38.27 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.916 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.67 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.340000000000003 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.76 -28.44 21.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 111.145 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -30.47 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 65.329999999999998 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.14 -28.93 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.906 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.46 37.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.884 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.49 -1.6 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.040000000000006 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 4.2 mt -111.01 -42.45 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 60.219999999999999 110.929 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 51.21 32.02 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.886 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB1' ' HB2' ' A' ' 70' ' ' SER . . . -98.82 -63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 65.5 111.121 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -86.61 -60.49 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.210000000000001 110.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -52.35 -27.13 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.299999999999997 110.831 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.58 -36.53 63.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.019999999999996 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -22.36 29.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -40.86 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.94 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -32.67 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.030000000000001 110.849 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -56.64 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.200000000000003 110.907 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -85.26 -0.59 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.85 -37.59 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 61.219999999999999 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -51.63 -32.69 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.58 -51.37 7.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -22.0 52.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 71.25 110.868 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.98 -41.32 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.540000000000006 110.849 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -62.04 -16.82 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.86 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 -24.35 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.019999999999996 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 1.55 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.430000000000007 110.859 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 160.9 0.65 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 74.209999999999994 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 76.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 70.010000000000005 112.361 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -124.42 -51.75 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 110.881 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -117.48 -24.75 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 73.329999999999998 110.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 -14.82 30.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 64.329999999999998 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t 38.01 42.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 72.010000000000005 111.168 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.34 156.87 17.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.878 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.21 166.93 15.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 65.010000000000005 110.874 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.74 8.73 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 73.030000000000001 112.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -50.9 -32.59 21.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.894 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ptm -88.56 -25.37 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 60.409999999999997 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -22.13 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 64.430000000000007 110.858 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -85.01 -33.37 22.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 74.540000000000006 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -82.82 -45.5 14.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 53.439999999999998 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -53.95 -24.42 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 52.539999999999999 110.914 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.7 -19.24 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.420000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -85.57 -22.33 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.62 -49.07 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.209999999999994 110.85 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -45.56 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 71.340000000000003 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -52.26 -29.26 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.07 -30.68 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.420000000000002 110.873 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.86 HD13 HG21 ' A' ' 59' ' ' THR . 28.7 mm -49.22 -60.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.121 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.03 -20.97 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 70.219999999999999 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -62.19 -50.85 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.209999999999994 110.87 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 168.21 29.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 72.439999999999998 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.86 HG21 HD13 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -87.18 -35.54 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 74.0 111.142 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.99 -30.71 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.887 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -83.38 -31.45 26.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 71.519999999999996 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -41.43 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 63.399999999999999 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.67 -26.18 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.230000000000004 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -33.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 75.049999999999997 110.92 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -84.01 -51.28 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.75 -10.13 54.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 71.219999999999999 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.29 -22.09 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 72.219999999999999 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.19 -33.98 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.310000000000002 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.45 7.08 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 110.875 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.664 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.75 -9.84 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.877 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -42.37 97.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.400000000000006 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -86.27 -21.54 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 20.0 m-85 -79.04 -51.36 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 61.020000000000003 110.902 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.96 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.905 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.44 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 111.081 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.69 -37.14 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 72.420000000000002 110.921 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -49.83 -36.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.450000000000003 110.826 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.3 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.420000000000002 111.099 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -87.3 -21.84 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.340000000000003 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 8' ' ' PHE . 7.4 tt -52.16 -42.45 63.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -26.93 68.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.885 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -83.83 -41.71 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.530000000000001 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -55.59 -25.09 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.92 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.419 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -51.12 -45.39 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 55.100000000000001 110.894 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.902 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 73.219999999999999 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -57.45 -18.56 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 111.1 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -64.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 70.319999999999993 111.126 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -90.73 -20.15 22.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 72.400000000000006 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.69 -54.92 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 18.9 tt0 -64.07 -20.52 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -87.4 -36.65 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 72.030000000000001 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.451 ' HD1' HD12 ' A' ' 80' ' ' LEU . 3.5 m-85 -78.99 -38.84 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 64.439999999999998 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.65 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 53.149999999999999 111.094 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.28 -30.51 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 53.420000000000002 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -87.71 -29.44 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.209999999999994 110.962 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.087 HD13 HD12 ' A' ' 15' ' ' LEU . 2.6 mm? -77.25 -24.21 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -15.54 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.019999999999996 110.903 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.7 -0.73 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.864 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.087 HD12 HD13 ' A' ' 12' ' ' LEU . 7.1 mt -108.08 -47.09 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.574 ' HB3' HG23 ' A' ' 59' ' ' THR . 16.3 m-20 50.93 26.26 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.856 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.29 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.520000000000003 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -58.64 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.922 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.07 -49.28 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 110.889 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.5 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 63.030000000000001 111.115 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' HG3' HD22 ' A' ' 63' ' ' ASN . 0.1 OUTLIER -85.03 -23.68 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 110.864 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -39.61 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 71.120000000000005 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -59.86 -39.1 84.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.209999999999994 110.855 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.04 -21.11 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 63.549999999999997 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.2 0.75 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.140000000000001 110.809 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -35.04 36.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -57.5 -26.46 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 51.539999999999999 110.894 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -83.45 -16.33 46.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 52.340000000000003 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -51.4 -22.57 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 63.240000000000002 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -49.38 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.409999999999997 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -73.68 -25.18 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.853 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.19 10.2 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.120000000000005 111.093 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.78 -21.31 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.519999999999996 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 162.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 60.219999999999999 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 138.7 38.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 75.109999999999999 112.367 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.05 30.1 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.89 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER 75.91 -58.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 73.439999999999998 110.879 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.31 49.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.329999999999998 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p 48.42 33.95 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 71.120000000000005 111.156 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.7 168.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.907 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.22 166.93 15.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 74.340000000000003 110.885 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 9.54 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 72.530000000000001 112.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -26.8 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.32 110.836 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -31.32 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.310000000000002 110.886 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -68.91 -22.85 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 51.439999999999998 110.882 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.3 -33.98 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.849 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -83.75 -48.35 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.09 -24.0 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -20.02 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 63.43 110.866 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -22.37 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -47.48 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.109999999999999 110.864 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.62 62.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.896 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -53.3 -26.82 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 65.129999999999995 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -31.73 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.862 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.1 mt -51.87 -62.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 75.120000000000005 111.112 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.82 -15.31 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 54.229999999999997 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.34 -39.1 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 54.119999999999997 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 177.41 -32.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -45.86 -34.31 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.16 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.52 -36.87 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.847 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.69 -39.77 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.409999999999997 110.902 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -41.66 88.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.100000000000001 110.877 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.495 HD22 ' HG3' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -52.65 -24.97 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.129999999999995 110.92 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -32.67 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -84.09 -52.14 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.010000000000005 110.95 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -12.36 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.230000000000004 110.906 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -24.47 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 72.549999999999997 110.842 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 52.229999999999997 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -102.93 7.64 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.849 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.1 p -62.25 -16.46 53.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.219999999999999 110.885 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.94 -41.55 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 53.509999999999998 110.869 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -21.41 28.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 74.319999999999993 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 15' ' ' LEU . 19.7 m-85 -79.97 -51.43 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.019999999999996 110.898 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -58.31 -22.77 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 71.430000000000007 110.888 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.67 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 111.072 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.41 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.439999999999998 110.929 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.19 -36.59 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 65.209999999999994 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.1 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 111.099 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -87.65 -22.39 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 55.130000000000003 110.883 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 80' ' ' LEU . 7.2 tt -52.82 -42.21 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.77 -26.74 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 110.946 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -44.57 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 62.299999999999997 110.906 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -27.98 40.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.938 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -43.53 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 32.520000000000003 110.939 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.349999999999994 110.891 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.807 0.337 . . . . 62.340000000000003 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.8 -18.25 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 70.510000000000005 111.102 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -64.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 111.13 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -47.23 -40.03 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.400000000000006 111.166 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -69.18 -43.29 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 73.030000000000001 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.39 -20.84 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 71.239999999999995 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.38 -36.64 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.76 ' CD1' HD12 ' A' ' 80' ' ' LEU . 2.6 m-85 -81.65 -39.09 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.310000000000002 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -19.89 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 65.400000000000006 111.102 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.61 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -88.23 -29.81 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -83.28 -25.11 31.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 55.119999999999997 110.927 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -16.51 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.329999999999998 110.853 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -101.95 -0.9 33.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.836 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.6 mt -114.35 -43.41 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.6 m-20 50.51 35.0 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.349999999999994 110.89 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.41 -61.54 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 60.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -85.52 -61.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.72 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -50.01 -54.15 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 63.439999999999998 110.867 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -58.51 -22.47 55.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.088 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -85.36 -33.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.530000000000001 110.874 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -79.7 -35.7 38.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 55' ' ' ILE . 1.4 mpp? -55.7 -28.54 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.409999999999997 110.852 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -21.27 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 51.240000000000002 110.838 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.49 0.02 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.120000000000005 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -36.47 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -24.02 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 54.409999999999997 110.885 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -79.97 -17.48 52.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -22.61 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.825 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.4 -59.35 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 65.129999999999995 110.932 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.5 -27.28 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 72.099999999999994 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 9.87 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 42.420000000000002 111.063 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -56.6 -21.21 25.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.510000000000005 110.897 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.23 162.33 0.52 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 71.450000000000003 110.837 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.78 21.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 74.439999999999998 112.332 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.86 29.98 7.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 110.843 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.87 -58.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 110.872 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.99 -29.61 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.019999999999996 111.108 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t 39.43 40.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.14 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.89 157.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.299999999999997 110.947 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.93 166.35 16.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 75.209999999999994 110.838 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.73 8.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 74.150000000000006 112.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -50.13 -33.43 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.838 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.46 -26.28 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.200000000000003 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -21.28 59.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.917 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.72 -34.33 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -84.01 -46.27 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.310000000000002 110.842 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -53.5 -24.74 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 54.409999999999997 110.91 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -19.76 58.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.86 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -84.78 -22.46 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.420000000000002 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -48.23 11.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.02 63.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 73.120000000000005 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.28 -27.08 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 72.109999999999999 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -32.8 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 23' ' ' MET . 71.6 mt -53.9 -62.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.219999999999999 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.61 -15.61 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 74.400000000000006 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -78.67 -36.96 43.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 74.349999999999994 110.891 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.566 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.1 m -47.65 -32.98 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 64.329999999999998 111.128 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' HG22 ' A' ' 55' ' ' ILE . 18.1 t0 -49.75 -33.75 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.848 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.2 -41.84 16.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.010000000000005 110.903 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -40.26 88.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 62.520000000000003 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 7.0 t-20 -54.4 -22.47 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 52.240000000000002 110.908 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -28.36 22.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.109999999999999 110.926 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -52.72 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.876 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -65.82 -11.92 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.530000000000001 110.865 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -50.83 -26.6 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.420000000000002 110.891 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -40.16 89.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.875 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -93.26 7.98 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.420000000000002 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -9.09 42.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.209999999999994 110.877 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.25 -42.95 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.510000000000005 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -86.78 -22.6 25.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.510000000000005 110.844 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 15' ' ' LEU . 23.5 m-85 -80.99 -49.97 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.430000000000007 110.887 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -21.66 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.48 -28.68 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 73.439999999999998 111.056 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -48.92 -38.01 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 110.851 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -36.39 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.519999999999996 110.868 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.26 87.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 55.439999999999998 111.097 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -87.15 -21.07 26.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.030000000000001 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.76 HD12 ' CD1' ' A' ' 8' ' ' PHE . 9.2 tt -49.38 -49.57 44.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.928 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -31.75 14.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.439999999999998 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.78 -38.2 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -22.2 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.527 ' N ' HG23 ' A' ' 4' ' ' THR . 0.4 OUTLIER -47.91 -32.11 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 72.530000000000001 110.91 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 61.109999999999999 110.89 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.775 0.322 . . . . 70.239999999999995 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.15 -22.14 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 73.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -64.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 111.169 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.8 t -90.89 -20.58 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 64.450000000000003 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' OH ' HD13 ' A' ' 81' ' ' LEU . 21.5 m-30 -75.01 -51.72 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.913 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -19.84 66.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 74.319999999999993 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -87.32 -37.41 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.9 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 80' ' ' LEU . 3.6 m-85 -79.63 -38.99 32.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 71.230000000000004 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.430000000000007 111.118 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 -29.28 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 63.039999999999999 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -87.27 -31.15 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.200000000000003 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 19' ' ' PHE . 2.5 mm? -70.43 -25.51 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.519999999999996 110.893 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -11.02 39.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.892 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.484 ' C ' HD23 ' A' ' 15' ' ' LEU . 2.5 mtt180 -105.27 -2.13 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.010000000000005 110.85 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -113.39 -41.39 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.919 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 33.0 m-20 54.32 38.49 29.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 110.883 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -99.62 -65.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 60.100000000000001 111.114 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -88.8 -60.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.8 m-85 -54.87 -21.97 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.865 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB1' ' CG2' ' A' ' 59' ' ' THR . . . -71.2 -44.38 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 55.25 111.119 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -85.17 -14.52 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.430000000000007 110.844 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -37.71 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 73.010000000000005 110.927 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.6 tpp -61.93 -25.55 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.896 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -49.09 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 54.530000000000001 110.867 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.69 0.05 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 53.5 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -59.37 -30.41 68.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.120000000000005 110.91 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -57.03 -33.85 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -52.86 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.856 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -59.43 -20.44 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 73.209999999999994 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.78 -45.86 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.29 -21.07 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.12 -16.83 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 70.439999999999998 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.91 6.0 30.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 55.329999999999998 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.59 157.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 74.140000000000001 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.55 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 73.219999999999999 112.35 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.32 -49.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.82 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -116.55 -26.3 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.865 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -84.36 -22.43 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 54.509999999999998 111.104 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.3 t 35.97 66.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 70.129999999999995 111.129 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 40' ' ' LEU . 1.8 pt? -119.66 169.41 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.549999999999997 110.925 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.79 166.52 15.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.699 0.761 . . . . 35.310000000000002 110.842 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 9.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.673 2.248 . . . . 71.209999999999994 112.369 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.16 -33.5 19.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -25.73 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.829 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -70.71 -51.94 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.340000000000003 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.21 -42.32 75.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.150000000000006 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -62.49 -46.01 90.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.878 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.8 -23.98 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.66 -19.9 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -21.82 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.925 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.71 -43.74 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 65.510000000000005 110.921 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.16 -44.94 61.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 73.219999999999999 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -57.39 -29.26 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 72.450000000000003 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.469 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.7 -19.89 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.129999999999995 110.885 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -65.18 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -15.49 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.942 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -63.58 -47.95 79.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.875 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.23 42.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.010000000000005 110.858 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.673 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 2.9 m -86.02 -36.8 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.099999999999994 111.183 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.74 -30.74 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.872 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -29.83 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.909 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -57.74 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.519999999999996 110.894 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.42 -27.85 2.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 72.150000000000006 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -42.19 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -85.72 -48.37 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.918 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.815 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 1.1 tpt -63.84 -14.5 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.908 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -22.41 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 52.399999999999999 110.806 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.24 -34.53 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -102.98 -3.77 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.430000000000007 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.608 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 55.9 p -70.18 -10.3 58.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 110.826 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -42.32 89.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.350000000000001 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -85.76 -21.5 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 17.3 m-85 -77.58 -52.29 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 70.150000000000006 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -52.15 -27.69 15.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 60.200000000000003 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.18 -31.87 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 64.340000000000003 111.081 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -36.58 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 65.450000000000003 110.936 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -37.46 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.887 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.98 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.409999999999997 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -88.03 -22.33 24.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 71.430000000000007 110.857 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -51.6 -43.81 62.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.907 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -58.05 -31.89 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.150000000000006 110.932 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -85.66 -35.48 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 62.350000000000001 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -23.5 43.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 65.129999999999995 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -49.97 -30.98 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 65.219999999999999 110.906 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 73.219999999999999 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -56.05 -19.66 13.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 111.114 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -64.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 53.25 111.146 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -90.59 -20.49 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 111.171 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.41 -53.83 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.09 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.450000000000003 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.08 -36.95 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.319999999999993 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.09 -38.0 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.829 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -16.2 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.32 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 61.219999999999999 111.142 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -89.42 -29.27 19.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.918 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.839 HD23 HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.35 -25.13 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 110.917 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.64 -15.41 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.049999999999997 110.89 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -1.55 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 65.319999999999993 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HD23 ' A' ' 12' ' ' LEU . 65.5 mt -93.34 -49.27 6.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 65.310000000000002 110.92 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 4.8 m-20 61.76 16.26 7.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.409999999999997 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 70' ' ' SER . . . -98.4 -63.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -86.62 -58.74 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 54.130000000000003 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -49.83 -56.55 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.019999999999996 110.881 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -55.23 -25.02 30.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 50.219999999999999 111.084 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.9 -22.31 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 74.349999999999994 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -81.1 -39.85 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.540000000000006 110.91 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.634 ' HB2' HD11 ' A' ' 55' ' ' ILE . 21.2 mmt -55.74 -35.6 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.230000000000004 110.878 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -24.49 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -81.59 0.04 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.430000000000007 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -42.24 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 71.329999999999998 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.07 -35.6 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 62.200000000000003 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -83.95 -17.83 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 61.240000000000002 110.969 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -21.86 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.888 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.38 -55.59 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -57.65 -29.0 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 63.420000000000002 110.878 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.53 8.73 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 24.32 111.101 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.23 -21.71 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.864 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 mmmp? -49.85 108.47 1.0 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.509 0.671 . . . . 64.5 110.935 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.0 Cg_endo -69.74 98.54 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 70.420000000000002 112.344 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -125.19 -51.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 72.299999999999997 110.84 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 38' ' ' ALA . 1.2 pp20? -99.92 -34.61 10.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.519999999999996 110.889 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . . . -89.94 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.129999999999995 111.11 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 35' ' ' PRO . 5.1 p 51.77 28.81 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.450000000000003 111.119 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD11 ' HG2' ' A' ' 44' ' ' MET . 1.8 pt? -82.36 176.16 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.914 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -93.49 167.75 13.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 50.299999999999997 110.863 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.75 8.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 31.34 112.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -51.9 -30.02 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.400000000000006 110.866 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.482 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -84.59 -28.78 26.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 73.319999999999993 110.862 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -67.84 -22.99 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.140000000000001 110.906 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.67 -35.65 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.120000000000005 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.04 -48.86 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -55.45 -24.97 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 110.942 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.47 -17.29 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 74.549999999999997 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -85.46 -20.93 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 110.913 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.63 -40.58 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.31 -44.4 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.05 -25.6 22.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 52.549999999999997 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -32.77 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.210000000000001 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 23' ' ' MET . 77.4 mt -52.95 -63.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 70.340000000000003 111.138 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.36 -15.1 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.939 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.18 -36.93 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.893 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.98 -31.4 5.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 111.147 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' ILE . 7.1 t70 -51.87 -33.2 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.530000000000001 110.87 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -82.98 -39.57 21.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 1.3 t80 -65.67 -34.09 77.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.556 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 9.1 t-20 -67.5 -20.83 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 71.439999999999998 110.847 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.84 -36.14 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 62' ' ' PHE . 13.4 ptmt -84.38 -45.03 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 72.349999999999994 110.892 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 11.5 mmt -68.65 -11.46 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.883 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.11 -25.59 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.832 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -61.0 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.883 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -79.15 -10.76 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.329999999999998 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 1.5 p -69.67 -9.32 53.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 50.039999999999999 110.817 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.13 -43.16 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 53.420000000000002 110.846 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -86.42 -21.39 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.78 -22.84 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.310000000000002 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.06 -30.06 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.092 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -37.18 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 65.540000000000006 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -38.7 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 74.239999999999995 110.872 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.75 80.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 40.100000000000001 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -89.2 -23.63 22.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 12' ' ' LEU . 17.4 mt -54.55 -47.92 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.06 -17.78 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 70.430000000000007 110.896 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.49 -24.4 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 64.450000000000003 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -57.27 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.219999999999999 110.917 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -82.95 -49.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.859 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.787 0.327 . . . . 55.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -62.2 -17.95 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 43.240000000000002 111.13 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -62.84 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 65.519999999999996 111.151 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 84' ' ' GLN . 32.2 p -46.24 -45.64 17.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 54.520000000000003 111.161 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.13 -41.01 74.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 64.400000000000006 110.944 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.73 -19.69 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 73.010000000000005 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' HE22 ' A' ' 83' ' ' GLN . 3.9 tt0 -87.58 -40.32 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 72.010000000000005 110.885 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CD1' HD22 ' A' ' 80' ' ' LEU . 2.9 m-85 -71.26 -42.88 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 73.340000000000003 110.898 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -63.08 -18.62 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.240000000000002 111.106 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.84 18.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -27.76 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 64.230000000000004 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -85.25 -24.09 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.209999999999994 110.907 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 -17.44 32.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 42.530000000000001 110.876 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -94.28 -1.07 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.130000000000003 110.861 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -118.16 -42.63 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.129999999999995 110.899 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 47.75 34.57 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.85 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.92 -61.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 64.230000000000004 111.085 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -87.08 -51.59 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 64.239999999999995 110.895 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -52.76 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 62.299999999999997 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -64.79 -22.46 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.078 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -85.81 -22.62 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -29.4 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 110.878 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.96 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.439999999999998 110.869 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.55 -40.36 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -80.83 -0.88 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.240000000000002 110.882 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.4 -24.61 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.846 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -63.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.937 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -21.85 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -79.0 -7.97 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 65.219999999999999 110.871 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -121.84 -20.91 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 75.310000000000002 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.71 -40.56 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 111.088 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.31 6.68 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 72.5 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.74 106.74 0.65 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.551 0.691 . . . . 74.400000000000006 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 73.030000000000001 112.317 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.0 m-20 -106.12 28.35 7.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.209999999999994 110.876 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 76.84 -57.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 110.865 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -95.67 -56.05 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.43 111.077 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 78.64 -5.13 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 111.123 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -178.19 -165.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.129999999999995 110.946 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.452 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -88.9 168.28 16.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 52.530000000000001 110.872 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.38 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 73.530000000000001 112.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 3.0 pt-20 -56.43 -36.11 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.835 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 40' ' ' LEU . 2.3 ptt? -89.56 -24.84 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.875 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -78.58 -21.32 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 110.931 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -84.54 -33.33 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 20.0 t-80 -84.2 -45.6 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.857 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.27 -25.17 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.099999999999994 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.13 -18.89 63.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 60.409999999999997 110.9 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -82.79 -22.42 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 65.200000000000003 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -44.59 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 65.319999999999993 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.36 -44.98 95.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 110.888 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -53.24 -24.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.109999999999999 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.25 -31.66 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 71.019999999999996 110.865 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 61.5 mt -51.56 -61.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.230000000000004 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.37 -14.9 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 110.861 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -38.26 47.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 73.420000000000002 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.91 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.03 -31.0 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.319999999999993 111.163 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.14 -34.47 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.897 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -83.89 -41.56 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.9 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.68 -58.33 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.030000000000001 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 30.6 t30 -52.34 -22.27 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 64.239999999999995 110.858 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.73 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -84.61 -41.95 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.150000000000006 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.85 -7.53 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 52.43 110.857 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.34 -26.23 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.65 -30.84 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.844 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.68 7.13 31.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 62.539999999999999 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 m -71.39 -8.76 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 64.209999999999994 110.855 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.4 -43.48 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 74.310000000000002 110.925 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -86.56 -22.99 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 72.409999999999997 110.853 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 15' ' ' LEU . 17.7 m-85 -80.33 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 73.010000000000005 110.89 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -23.54 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.219999999999999 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.12 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 42.130000000000003 111.089 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.07 -39.76 75.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.519999999999996 110.926 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.47 -38.38 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 61.25 110.845 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.37 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.239999999999995 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -89.47 -21.7 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.748 HD22 ' CD1' ' A' ' 8' ' ' PHE . 18.0 mt -56.73 -51.97 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 64.519999999999996 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -35.32 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 74.140000000000001 110.941 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.22 -29.28 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 74.450000000000003 110.904 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 7' ' ' GLU . 1.6 tm0? -48.83 -58.32 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 110.9 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.601 ' HB3' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -78.29 -55.52 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 61.140000000000001 110.874 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 74.329999999999998 110.876 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.841 0.353 . . . . 73.319999999999993 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' TYR . . . -60.56 -17.34 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -65.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 54.119999999999997 111.177 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.451 HG21 ' C ' ' A' ' 83' ' ' GLN . 70.2 p -88.14 -21.29 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 2' ' ' ALA . 5.4 m-85 -72.82 -51.78 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 75.25 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.65 -20.28 66.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 72.120000000000005 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -88.2 -37.8 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.864 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.9 m-85 -76.18 -38.76 56.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.831 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.85 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . . . -89.29 -30.27 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 65.230000000000004 111.093 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -87.19 -29.75 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.944 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.682 HD13 HD12 ' A' ' 15' ' ' LEU . 3.3 mm? -68.51 -25.08 64.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.099999999999994 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -13.93 25.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.86 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' C ' HD23 ' A' ' 15' ' ' LEU . 17.3 mmt180 -100.17 -1.21 37.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.439999999999998 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 12' ' ' LEU . 3.5 mt -111.85 -42.75 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 74.019999999999996 110.885 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 50.2 m-20 51.77 34.49 13.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.905 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.8 -64.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.409999999999997 111.111 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.33 -61.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.9 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.14 -19.73 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 75.230000000000004 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -78.01 -40.76 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 111.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -85.42 -24.9 27.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.219999999999999 110.91 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.74 -41.29 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.886 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -35.57 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 110.9 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.13 -21.0 64.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.866 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.89 0.39 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.3 -34.48 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.17 -22.8 52.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.119999999999997 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -16.1 53.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.450000000000003 110.903 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -51.06 -22.99 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 110.85 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -57.9 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.937 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.43 -26.66 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 10.56 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -21.01 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -49.52 163.06 0.4 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 71.109999999999999 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 50.439999999999998 112.367 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.9 m-20 -122.76 30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.109999999999999 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER 76.22 -59.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.230000000000004 110.87 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.17 -39.51 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 64.450000000000003 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.0 p 49.11 40.74 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 111.158 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.78 153.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 110.893 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.21 167.4 14.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 50.25 110.865 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 10.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 72.549999999999997 112.367 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -26.76 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -88.07 -22.26 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 65.329999999999998 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.13 -24.56 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.06 -38.61 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.030000000000001 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 t60 -77.06 -45.27 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.844 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -52.75 -23.9 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 65.420000000000002 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.48 -19.61 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.010000000000005 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -22.62 25.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 64.409999999999997 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -36.11 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.430000000000007 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 55' ' ' ILE . 5.6 pt-20 -57.47 -27.42 62.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 70.329999999999998 110.868 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -77.13 -21.26 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 75.239999999999995 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -41.94 14.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 74.430000000000007 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 1.3 tt -57.86 -43.95 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 61.549999999999997 111.135 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -80.76 -15.67 55.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.942 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 1.4 mm-40 -77.42 -51.02 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 62.240000000000002 110.847 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER 165.39 36.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 65.25 110.869 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -84.99 -31.96 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.409999999999997 111.151 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -50.48 -31.22 14.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 70.540000000000006 110.861 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -38.81 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.35 -40.56 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.611 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.12 -26.73 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.140000000000001 110.893 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -79.16 -31.46 43.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -82.69 -52.37 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.865 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.96 -10.26 56.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 65.120000000000005 110.88 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -20.53 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.530000000000001 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.39 -39.32 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 64.349999999999994 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -102.84 2.99 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 73.099999999999994 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.747 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 65.8 p -72.46 -8.81 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 110.871 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.15 -21.49 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.549999999999997 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.97 -51.89 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 110.871 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.69 -23.52 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 62.340000000000003 110.946 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.54 -31.46 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 40.409999999999997 111.098 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HG3' HD12 ' A' ' 80' ' ' LEU . 3.7 tppt? -50.19 -38.3 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.239999999999995 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -36.73 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.881 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.85 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 65.349999999999994 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -88.11 -21.79 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.629 HD12 ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.75 -40.81 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.150000000000006 110.924 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.75 -31.04 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -85.99 -33.44 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.439999999999998 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.451 ' C ' HG21 ' A' ' 4' ' ' THR . 3.7 tt0 -74.34 -30.12 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.299999999999997 110.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -50.68 -30.9 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.219999999999999 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.886 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 75.239999999999995 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -57.85 -18.12 20.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 53.43 111.103 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 73.140000000000001 111.144 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.34 -21.41 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 51.450000000000003 111.096 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.73 ' OH ' HD13 ' A' ' 40' ' ' LEU . 7.5 m-85 -72.91 -51.68 17.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 71.219999999999999 110.906 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.25 -20.96 66.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.099999999999994 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -89.25 -37.4 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.863 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 80' ' ' LEU . 3.3 m-85 -78.47 -39.12 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -62.04 -19.67 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 71.349999999999994 111.094 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.73 -33.54 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 51.130000000000003 111.107 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -28.51 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.539999999999999 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 15' ' ' LEU . 4.2 mm? -76.72 -30.49 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 71.109999999999999 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.52 -16.7 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -97.36 -1.83 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.893 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 12' ' ' LEU . 13.2 mt -103.64 -45.89 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.209999999999994 110.909 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 59' ' ' THR . 88.9 m-20 58.89 20.85 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.329999999999998 110.895 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.38 -59.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.230000000000004 111.114 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -85.93 -49.75 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 54.350000000000001 110.877 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -51.67 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.209999999999994 110.886 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -51.36 -25.06 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 74.099999999999994 111.095 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -27.1 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.310000000000002 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -61.83 -48.45 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 62.149999999999999 110.897 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -25.65 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.319999999999993 110.89 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -83.84 -19.82 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.71 0.06 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 63.310000000000002 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.6 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 60.439999999999998 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.81 -36.14 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.891 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -83.47 -16.29 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.540000000000006 110.915 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -51.59 -22.29 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -76.89 -47.24 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 61.240000000000002 110.909 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -76.15 -25.1 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 44.210000000000001 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.2 10.3 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.299999999999997 111.091 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.63 -21.22 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.819 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.5 157.94 0.87 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 72.299999999999997 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.42 67.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 61.109999999999999 112.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -121.26 27.69 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.150000000000006 110.863 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.77 -58.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.895 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -32.23 16.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t 38.42 41.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 70.510000000000005 111.131 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -54.46 174.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 42.450000000000003 110.89 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -94.59 167.04 13.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 73.439999999999998 110.834 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.77 9.33 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 70.120000000000005 112.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -53.55 -25.91 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.901 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -79.35 -30.04 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.010000000000005 110.901 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -67.5 -23.76 65.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 75.099999999999994 110.933 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.91 -35.67 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 11.2 t-80 -80.61 -48.5 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.55 -24.21 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.129999999999995 110.955 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -19.82 54.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 53.450000000000003 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -21.96 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 73.099999999999994 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 55' ' ' ILE . 11.5 pt-20 -50.58 -42.49 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.855 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -52.99 -22.94 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.430000000000007 110.873 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -33.89 24.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.439999999999998 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 2.3 tt -59.71 -36.82 68.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 111.176 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.62 -15.59 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 72.319999999999993 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.24 -37.34 33.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.439999999999998 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 51.439999999999998 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.2 m -45.44 -31.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 73.129999999999995 111.11 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.13 -39.65 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 74.299999999999997 110.846 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -83.37 -31.91 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.400000000000006 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -37.0 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 110.883 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.85 -24.32 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -80.67 -32.53 36.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -52.64 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.010000000000005 110.943 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.616 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.21 -6.91 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.319999999999993 110.915 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -22.25 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.866 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.26 -38.17 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -103.42 6.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 83.8 p -70.67 -9.69 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.856 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.13 -41.15 95.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 71.109999999999999 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -86.33 -21.4 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.230000000000004 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CD2' HD13 ' A' ' 15' ' ' LEU . 22.6 m-85 -80.37 -50.39 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 110.867 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.69 -23.08 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.914 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.03 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.09 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -48.82 -43.98 38.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 44.329999999999998 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -47.93 -35.26 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.44 90.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 64.010000000000005 111.127 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.11 -21.7 36.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 80' ' ' LEU . 7.7 tt -51.07 -40.53 58.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.430000000000007 110.901 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 45.240000000000002 110.907 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.92 -47.77 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 70.420000000000002 110.85 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -22.53 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -50.27 -30.38 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 64.349999999999994 110.961 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 61.32 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.94 -27.37 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 51.119999999999997 111.109 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -54.76 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 63.310000000000002 111.159 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.64 -41.19 41.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 111.166 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -41.43 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.898 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -65.34 -21.39 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 65.430000000000007 110.853 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.89 -41.1 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CD2' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.21 -45.57 87.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 52.539999999999999 110.906 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.21 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 52.340000000000003 111.085 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -32.35 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.119999999999997 111.091 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' CG ' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -87.2 -15.3 38.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 52.049999999999997 110.882 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 19' ' ' PHE . 43.5 mt -97.16 -38.82 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.329999999999998 110.936 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.99 -17.07 35.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 64.530000000000001 110.869 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -93.25 -0.93 56.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 60.450000000000003 110.846 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -112.82 -52.26 2.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 61.32 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' THR . 7.9 m-20 46.46 28.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.230000000000004 110.848 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -100.75 -63.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.439999999999998 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -86.39 -61.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -53.87 -24.69 16.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.846 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 63' ' ' ASN . . . -68.36 -41.01 81.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.019999999999996 111.077 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -85.64 -27.25 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 70.450000000000003 110.913 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -78.02 -40.27 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.430000000000007 110.889 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 tpt -55.24 -35.33 64.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 55.020000000000003 110.844 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.43 -20.85 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 61.43 110.942 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.22 0.18 33.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 54.009999999999998 110.91 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.45 -28.62 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 72.099999999999994 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -57.85 -20.9 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 43.439999999999998 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -78.27 -16.41 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.854 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -22.47 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.120000000000005 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -78.28 -53.03 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 64.519999999999996 110.857 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -66.56 -27.42 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.86 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 10.56 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 111.135 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -56.02 -21.57 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.299999999999997 110.89 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 156.48 1.64 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 74.430000000000007 110.882 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 92.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 74.019999999999996 112.317 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 13.9 m-20 -124.85 27.93 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 110.835 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.5 tt0 80.74 -34.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.020000000000003 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.74 -2.14 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.439999999999998 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 p -77.26 49.53 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.46 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.120000000000005 110.943 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -91.51 165.89 19.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 74.010000000000005 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.8 7.97 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.685 2.257 . . . . 75.329999999999998 112.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 44' ' ' MET . 6.6 pt-20 -49.18 -42.75 40.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.411 ' N ' ' CG ' ' A' ' 43' ' ' GLU . 4.6 mtt -93.24 -19.29 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.519999999999996 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -64.55 -20.27 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -84.27 -35.56 23.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.924 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -35.72 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 61.32 110.84 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -54.48 -25.17 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.239999999999995 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.43 -18.78 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.230000000000004 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -83.28 -21.69 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.349999999999994 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -79.26 -51.77 9.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 74.430000000000007 110.889 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -55.4 -24.49 30.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 54.310000000000002 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 mtm -87.2 -30.88 20.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 64.230000000000004 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.2 mt -51.66 -62.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.329999999999998 111.153 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 110.883 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -38.39 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.75 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.319999999999993 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -47.59 -34.03 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 64.540000000000006 111.193 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.04 -36.65 70.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.863 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -83.21 -28.48 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 62.549999999999997 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -74.74 -34.54 62.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 75.299999999999997 110.908 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -54.85 -22.23 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.310000000000002 110.89 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -87.09 -28.46 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 53.420000000000002 110.871 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.41 -52.55 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.239999999999995 110.878 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -68.89 -8.19 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 60.539999999999999 110.879 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.22 -21.28 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.87 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -35.38 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -103.02 7.14 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 70.099999999999994 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 82.9 p -69.37 -10.74 59.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 61.32 110.841 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -37.68 58.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 110.847 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.9 -21.54 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.310000000000002 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.739 ' CD1' HD13 ' A' ' 15' ' ' LEU . 14.0 m-85 -75.24 -53.02 9.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -27.56 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.89 -42.44 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -56.05 -34.18 65.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.917 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -47.06 -40.76 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.349999999999994 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.62 80.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.010000000000005 111.109 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -86.6 -22.82 26.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 11' ' ' LYS . 1.4 mm? -59.13 -50.52 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 70.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.34 -30.68 71.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 61.530000000000001 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -80.18 -25.26 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.239999999999995 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -50.25 -54.67 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.009999999999998 110.959 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -82.53 -47.66 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.902 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.209999999999994 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -83.36 -21.01 33.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -51.56 -41.32 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.519999999999996 111.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -51.66 -21.66 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 73.239999999999995 111.154 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -87.31 -43.35 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.892 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' HE1' ' A' ' 44' ' ' MET . 0.0 OUTLIER -60.21 -22.91 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.230000000000004 110.915 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -88.79 -37.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 72.019999999999996 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.3 m-85 -73.21 -41.03 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.099999999999994 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . . . -58.83 -19.49 41.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.82 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -24.53 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.937 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -81.51 -23.48 37.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.349999999999994 110.923 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -14.55 20.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -101.14 -1.71 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 110.83 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -41.17 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 62.109999999999999 110.922 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.2 m-20 50.02 38.71 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.864 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.56 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 111.129 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -86.03 -52.37 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.109999999999999 110.928 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE2' HD13 ' A' ' 12' ' ' LEU . 2.5 m-85 -58.89 -46.96 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 52.409999999999997 110.846 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -64.0 -22.94 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -23.73 26.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 65.340000000000003 110.883 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -92.89 -33.8 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.230000000000004 110.887 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -56.51 -27.46 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.839 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -20.92 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 71.120000000000005 110.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.88 -0.13 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 75.209999999999994 110.924 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -49.97 -42.43 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 62.240000000000002 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.19 -33.48 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 54.200000000000003 110.864 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -83.38 -17.44 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 110.932 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -55.36 -21.43 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.219999999999999 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -27.62 61.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.340000000000003 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -104.2 -11.64 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.18 -9.62 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.88 -21.99 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.907 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 108.57 1.02 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 75.409999999999997 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.29 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 72.519999999999996 112.335 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.62 -51.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -110.72 -28.93 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.409999999999997 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.09 -57.83 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 54.140000000000001 111.06 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p 50.85 32.51 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.349999999999994 111.171 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.26 163.5 27.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.887 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -93.43 166.98 14.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.691 0.758 . . . . 74.010000000000005 110.846 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.7 9.34 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 75.140000000000001 112.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 2' ' ' ALA . 1.3 pt-20 -56.01 -38.88 71.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.239999999999995 110.851 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.574 ' HE1' ' HA ' ' A' ' 6' ' ' GLU . 72.0 mmm -91.11 -22.32 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.872 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 11.1 mtmm -65.31 -35.5 81.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.892 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -34.86 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 62.039999999999999 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -72.85 -41.68 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.11 -24.08 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.897 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.18 -19.29 61.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 73.030000000000001 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.8 -22.74 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 63.509999999999998 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -49.46 10.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.200000000000003 110.864 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.41 -44.97 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 51.25 110.895 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -52.44 -32.05 37.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -34.1 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.540000000000006 110.844 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 60' ' ' ASP . 59.7 mt -55.48 -64.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 50.039999999999999 111.153 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -64.02 -16.09 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 74.109999999999999 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.865 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.79 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 110.844 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.425 ' H ' HG23 ' A' ' 59' ' ' THR . 6.0 p -54.54 -22.0 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 73.219999999999999 111.186 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.2 t70 -47.82 -48.99 30.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.430000000000007 110.892 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -68.94 -39.97 79.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 64.510000000000005 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.56 -44.62 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 110.847 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -53.34 -23.12 8.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.120000000000005 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -83.46 -30.33 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 62.229999999999997 110.894 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -52.05 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 64.109999999999999 110.892 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mmt -65.0 -13.22 57.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 44.039999999999999 110.908 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -53.08 -25.42 12.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 62.200000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.27 -34.94 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 51.130000000000003 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -102.78 -4.38 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.837 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -71.99 -8.47 54.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 75.219999999999999 110.866 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.81 -43.09 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 65.510000000000005 110.884 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -21.94 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 110.901 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -81.59 -49.78 10.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.219999999999999 110.875 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -23.47 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.129999999999995 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.13 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.040000000000006 111.098 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.01 -38.01 69.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -48.36 -37.86 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.450000000000003 110.859 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.51 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 63.32 111.101 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -87.9 -21.22 25.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.787 HD11 ' CD2' ' A' ' 8' ' ' PHE . 8.2 mt -56.47 -38.67 72.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.1 tt -68.35 -30.6 69.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.902 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -84.89 -29.93 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.010000000000005 110.909 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.733 ' HB3' HG21 ' A' ' 4' ' ' THR . 3.3 tt0 -50.75 -55.58 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.020000000000003 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 4' ' ' THR . 6.3 tm0? -78.99 -54.41 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.510000000000005 110.925 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 71.340000000000003 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.89 -18.49 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.450000000000003 111.108 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -55.36 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 64.129999999999995 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.707 HG22 ' CB ' ' A' ' 84' ' ' GLN . 30.6 p -47.7 -42.59 25.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.175 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -79.65 -34.19 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.019999999999996 110.9 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 3.4 tm-20 -68.34 -20.23 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.319999999999993 110.915 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.64 -38.74 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 52.149999999999999 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 80' ' ' LEU . 1.5 m-85 -80.24 -39.14 29.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.510000000000005 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -16.43 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 53.240000000000002 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.53 -34.31 20.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -89.71 -26.95 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 15' ' ' LEU . 3.7 mm? -82.79 -22.99 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.230000000000004 110.89 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -10.24 31.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.865 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.479 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.73 -1.56 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 110.891 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -118.51 -42.15 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.918 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 70.0 m-20 58.23 43.44 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 65.319999999999993 110.853 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -99.94 -64.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 64.099999999999994 111.114 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -88.17 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 70.319999999999993 110.877 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.32 -23.37 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.904 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -77.61 -35.64 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 42.219999999999999 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -84.84 -24.28 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -46.04 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 73.420000000000002 110.911 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.3 mmm -54.05 -30.29 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.520000000000003 110.879 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -20.43 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.549999999999997 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.36 -0.47 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.520000000000003 110.828 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -50.36 -44.47 54.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 70.530000000000001 110.904 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -55.52 -31.13 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.130000000000003 110.872 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.3 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.450000000000003 110.868 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -22.98 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -57.58 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.420000000000002 110.849 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -62.16 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.200000000000003 110.858 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.21 7.99 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.02 -20.85 26.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 55.420000000000002 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 156.41 1.27 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 73.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.81 24.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 44.509999999999998 112.329 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.35 29.45 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.817 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.28 -59.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 110.907 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -74.1 -62.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 60.43 111.11 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER 78.28 -34.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 70.219999999999999 111.136 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp 63.76 156.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.412 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.19 166.23 16.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.661 0.744 . . . . 64.329999999999998 110.841 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.14 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.638 2.225 . . . . 73.129999999999995 112.355 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 4.8 pt-20 -49.66 -36.52 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.340000000000003 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -23.15 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.049999999999997 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -77.64 -21.33 52.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -83.99 -34.26 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 63.5 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 6' ' ' GLU . 9.9 t-80 -84.04 -45.68 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.886 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -52.61 -23.48 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.230000000000004 110.928 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.43 -20.06 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 61.420000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -22.05 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 110.91 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -85.79 -31.79 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.887 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -28.2 55.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 73.120000000000005 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -22.05 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -21.51 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.329999999999998 110.866 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 20' ' ' ALA . 9.9 tt -87.76 -44.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.420000000000002 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 55' ' ' ILE . 8.4 mt-30 -73.93 -9.6 58.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.230000000000004 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -76.86 -43.38 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.030000000000001 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.38 54.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 110.874 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -85.91 -33.6 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 64.349999999999994 111.149 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -49.38 -34.57 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.129999999999995 110.905 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -85.74 -35.05 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -62.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 60.100000000000001 110.861 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -46.78 -34.92 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.310000000000002 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -61.6 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.349999999999994 110.907 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -48.64 10.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.843 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.721 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 24.3 mmt -65.78 -10.67 39.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 71.340000000000003 110.917 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -54.35 -23.69 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.519999999999996 110.914 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.94 -33.78 72.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.913 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -103.2 -14.44 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.420000000000002 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -56.93 -21.4 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.852 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.61 -50.63 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.120000000000005 110.88 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -84.12 -23.08 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 63.130000000000003 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.2 -47.57 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -53.56 -23.53 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.22 -31.08 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 64.140000000000001 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -49.84 -36.33 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 64.540000000000006 110.919 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -38.25 21.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 42.43 111.117 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -88.0 -21.61 24.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 63.420000000000002 110.908 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 4' ' ' THR . 13.2 tp -53.19 -52.05 60.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.919 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -33.94 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 70.310000000000002 110.934 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.27 -32.57 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 74.519999999999996 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.58 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.707 ' CB ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -65.43 -53.13 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.019999999999996 110.905 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.891 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 74.439999999999998 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.61 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . -50.92 -24.6 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 64.450000000000003 111.114 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 72.25 111.204 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.74 -19.68 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 72.530000000000001 111.143 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.453 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 17.8 m-85 -77.61 -54.08 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.909 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.35 -19.93 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 73.219999999999999 110.914 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.89 -37.38 17.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -78.02 -39.54 41.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.450000000000003 110.852 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.26 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 43.219999999999999 111.075 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.21 -30.69 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.200000000000003 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -30.73 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 70.230000000000004 110.879 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.35 -24.65 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -14.06 19.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.409999999999997 110.87 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.481 ' C ' HD23 ' A' ' 15' ' ' LEU . 5.9 mtp85 -105.58 -1.4 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.520000000000003 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 14' ' ' ARG . 4.2 mt -111.95 -42.73 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.918 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 54.21 36.78 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.239999999999995 110.85 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.77 -63.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 41.32 111.133 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.09 -62.55 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.049999999999997 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -53.3 -24.52 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 73.019999999999996 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 111.119 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -23.4 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -77.58 -43.92 30.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 110.884 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.579 ' HB3' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -55.27 -34.85 64.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.510000000000005 110.854 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.2 -20.51 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 75.310000000000002 110.882 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.56 0.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.030000000000001 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -51.57 -37.18 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -58.16 -23.87 56.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.519999999999996 110.887 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.66 -15.15 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.399999999999999 110.917 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.24 -23.17 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.853 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -49.41 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.887 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -74.31 -24.62 59.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.120000000000005 110.877 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.37 10.35 29.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 111.104 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.67 -21.31 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 63.340000000000003 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.54 160.41 0.59 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 73.420000000000002 110.884 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 34' ' ' LYS . 53.6 Cg_endo -69.76 134.72 28.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 75.299999999999997 112.336 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.8 m-20 -122.73 32.35 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 73.109999999999999 110.85 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.4 tt0 77.78 -56.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.907 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.65 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 43.530000000000001 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m 76.73 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.409999999999997 111.164 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.71 HD22 ' N ' ' A' ' 41' ' ' SER . 2.1 tm? 63.39 131.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 60.350000000000001 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.71 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -95.76 165.47 16.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 61.32 110.831 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 12.8 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 72.530000000000001 112.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.61 ' OE1' ' HB2' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -53.88 -28.11 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.878 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 5' ' ' TYR . 3.3 mmt -87.9 -19.97 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 110.879 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -24.79 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.019999999999996 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.430000000000007 110.899 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.46 -44.8 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -51.97 -23.96 5.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.953 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.86 -21.58 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.519999999999996 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -88.42 -22.6 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 72.420000000000002 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -45.09 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.853 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -45.46 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 44.399999999999999 110.908 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -54.48 -27.72 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.929 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -24.02 22.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.87 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 23' ' ' MET . 45.8 mt -55.99 -61.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 111.136 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -71.36 -16.15 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 2.4 tt0 -65.92 -51.49 58.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.329999999999998 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER 167.45 38.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.019999999999996 110.865 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -85.5 -27.01 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 75.030000000000001 111.136 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.87 -31.58 68.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 71.200000000000003 110.828 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -84.25 -30.33 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 74.099999999999994 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -48.36 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.129999999999995 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -53.43 -22.43 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 62.149999999999999 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.34 58.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.340000000000003 110.898 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -44.82 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.420000000000002 110.92 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.609 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -72.99 -7.14 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.877 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -22.74 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.852 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -29.2 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 73.5 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -103.4 -21.43 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 65.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 57.9 p -54.57 -23.32 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.019999999999996 110.837 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.39 -55.08 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.340000000000003 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.08 -22.5 27.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.109999999999999 110.843 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -73.11 -51.76 16.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.885 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -51.53 -26.76 9.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.12 -30.88 22.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.146 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 80' ' ' LEU . 8.0 tptp -50.3 -37.34 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.230000000000004 110.861 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -37.34 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 75.129999999999995 110.877 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.95 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -88.08 -21.73 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.109999999999999 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -51.82 -42.76 62.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.936 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 110.967 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.82 -25.37 26.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 71.049999999999997 110.877 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -56.7 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.921 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -82.7 -50.04 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.450000000000003 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.109999999999999 110.884 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 63.32 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.54 -22.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 61.210000000000001 111.142 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.21 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 64.219999999999999 111.15 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -89.87 -20.57 23.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 111.131 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.36 -53.29 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.439999999999998 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.47 -16.76 64.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.871 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.45 -43.2 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.509999999999998 110.859 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' C ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.24 -39.52 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 55.340000000000003 110.926 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 47' ' ' HIS . . . -62.59 -15.08 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 44.43 111.082 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.29 -32.93 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.010000000000005 111.145 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -88.55 -29.9 19.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 19' ' ' PHE . 1.8 mm? -65.97 -38.36 88.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 74.040000000000006 110.934 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -12.77 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 72.319999999999993 110.869 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -97.44 -1.57 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.766 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -110.76 -44.66 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 110.934 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 64.2 m-20 48.87 37.32 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 53.329999999999998 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.3 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.073 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 54.509999999999998 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.34 -19.71 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 65.040000000000006 110.856 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -70.01 -43.81 70.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 72.540000000000006 111.076 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.3 -20.83 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 54.219999999999999 110.951 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.95 -42.38 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.5 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.2 tpt -56.97 -31.76 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.853 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.409999999999997 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -0.51 53.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 70.450000000000003 110.861 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -33.3 75.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -29.38 14.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -83.36 -52.39 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -21.54 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.549999999999997 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -70.45 -48.36 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.5 110.907 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -53.8 -25.36 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.64 -21.47 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.68 5.91 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.109999999999999 110.864 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.78 157.26 1.06 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 72.030000000000001 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 75.120000000000005 112.366 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -124.16 -36.38 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.861 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.01 -31.83 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.869 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.99 -20.99 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 55.409999999999997 111.089 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t 37.29 43.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 71.349999999999994 111.179 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.72 177.15 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 51.340000000000003 110.95 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -94.04 166.51 15.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 71.129999999999995 110.876 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 10.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 72.510000000000005 112.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -51.3 -31.65 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 72.239999999999995 110.848 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -88.91 -25.81 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.854 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -20.64 40.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 62.109999999999999 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.26 -35.04 28.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 71.109999999999999 110.885 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.4 t-160 -84.16 -45.15 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.42 -23.57 16.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.926 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.18 -17.16 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.150000000000006 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -22.15 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 52.509999999999998 110.879 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -81.97 -32.72 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 72.230000000000004 110.901 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 55' ' ' ILE . 9.5 pt-20 -66.54 -31.35 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 55.100000000000001 110.929 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 73.430000000000007 110.948 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -22.09 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 61.329999999999998 110.918 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' GLN . 10.3 tt -82.6 -43.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 111.115 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' ILE . 44.9 mt-30 -80.98 -11.73 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 61.219999999999999 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -46.57 60.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.32 48.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.671 HG21 ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -86.36 -31.48 21.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.019999999999996 111.141 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.55 -33.89 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.872 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -86.0 -31.79 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 110.884 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.4 -59.49 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.230000000000004 110.873 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.41 -33.89 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.340000000000003 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -41.72 95.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.009999999999998 110.865 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -84.13 -47.59 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 43.43 110.933 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -64.88 -12.58 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.130000000000003 110.86 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -20.14 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.92 -32.11 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.150000000000006 110.882 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -102.9 7.53 39.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 63.100000000000001 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.0 p -58.85 -19.69 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 63.020000000000003 110.896 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -43.45 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 73.409999999999997 110.858 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.77 -21.33 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 75.239999999999995 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.766 ' CD1' HD13 ' A' ' 15' ' ' LEU . 19.6 m-85 -77.74 -52.23 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 110.922 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.19 -23.64 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 72.120000000000005 110.896 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.52 -31.61 24.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 64.329999999999998 111.129 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -26.92 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.97 84.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 64.319999999999993 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.4 -31.7 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 50.32 111.092 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -78.86 -20.94 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.893 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -46.42 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.43 -34.69 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 64.349999999999994 110.911 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -85.93 -32.54 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 61.119999999999997 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.53 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 74.319999999999993 110.898 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -53.03 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 71.340000000000003 110.907 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 72.200000000000003 110.866 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.769 0.318 . . . . 74.5 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.06 79.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 52.229999999999997 111.086 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -48.3 -46.03 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.040000000000006 111.129 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 HG22 ' CE2' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -44.55 -47.66 10.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 70.349999999999994 111.18 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 40' ' ' LEU . 25.0 m-85 -84.12 -40.12 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.75 -19.93 62.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 74.109999999999999 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -89.46 -40.76 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.420000000000002 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.797 ' CD1' HD22 ' A' ' 80' ' ' LEU . 10.5 m-30 -67.5 -43.74 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 73.109999999999999 110.872 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.16 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.439999999999998 111.112 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.8 -32.03 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.519999999999996 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 -16.36 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.873 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -97.62 -29.55 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 110.918 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.11 -18.42 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 110.86 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 mmt180 -96.2 -1.15 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.450000000000003 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 14' ' ' ARG . 2.3 mt -113.49 -43.18 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 16.7 m-20 47.19 34.41 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.851 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.32 -59.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 111.104 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.8 -60.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.420000000000002 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.86 -46.5 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 110.897 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 16' ' ' ASP . . . -58.52 -35.78 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 75.310000000000002 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -15.17 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 55.409999999999997 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.74 -29.13 16.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.869 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -30.14 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.450000000000003 110.902 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -81.22 -48.2 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.918 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -0.31 41.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.129999999999995 110.887 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -46.1 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 72.310000000000002 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.79 -38.53 48.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 63.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -83.84 -36.14 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.129999999999995 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -66.56 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 75.409999999999997 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -72.44 -12.56 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.855 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -123.5 -26.22 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.75 -40.41 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 72.230000000000004 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.73 6.55 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.420000000000002 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.4 ptmm? -48.87 107.62 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 73.5 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 39' ' ' THR . 53.1 Cg_endo -69.81 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 70.150000000000006 112.294 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.17 30.44 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' THR . 10.4 tt0 76.66 -54.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.21 86.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 54.219999999999999 111.124 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 37' ' ' GLU . 1.4 p 62.77 28.88 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 70.349999999999994 111.188 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD21 ' OH ' ' A' ' 5' ' ' TYR . 17.5 tp 65.03 167.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.030000000000001 110.898 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.47 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -81.1 168.41 25.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.714 0.769 . . . . 72.040000000000006 110.853 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.75 8.09 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 2.283 . . . . 64.120000000000005 112.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.01 -35.68 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 110.883 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -90.34 -22.56 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 54.340000000000003 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -72.21 -21.34 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.350000000000001 110.893 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -78.37 -31.63 48.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 62.329999999999998 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -85.23 -31.26 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 54.409999999999997 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 110.944 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -56.71 -22.14 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 63.450000000000003 110.859 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -23.27 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 110.877 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.11 -47.8 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.884 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -44.07 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -53.57 -35.34 60.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 65.140000000000001 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.95 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.040000000000006 110.845 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mm -62.31 -63.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 62.119999999999997 111.125 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -63.21 -16.41 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.400000000000006 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.79 -43.61 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 53.149999999999999 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -32.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 75.299999999999997 110.884 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 p -55.73 -20.81 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 111.185 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.568 ' HB2' HG22 ' A' ' 55' ' ' ILE . 2.8 t70 -49.17 -45.66 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.89 -41.75 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.898 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.84 -44.1 86.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 5.9 t-20 -53.71 -23.19 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 52.530000000000001 110.861 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -31.43 29.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -84.66 -51.24 6.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 110.913 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.3 mmt -63.91 -14.57 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -27.72 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.891 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 -27.87 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -102.67 7.81 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.6 p -51.47 -25.17 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 34.039999999999999 110.878 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.26 -39.5 86.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.340000000000003 110.908 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -21.25 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 75.140000000000001 110.847 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -82.86 -50.77 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.875 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -22.75 46.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.400000000000006 110.913 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.21 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 111.067 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -50.19 -36.65 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.109999999999999 110.87 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.89 -38.01 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 63.520000000000003 110.911 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.43 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -88.99 -21.43 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 74.530000000000001 110.886 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.797 HD22 ' CD1' ' A' ' 8' ' ' PHE . 13.8 mt -55.02 -46.86 75.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 71.239999999999995 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -37.77 28.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 62.25 110.896 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -87.56 -26.74 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.915 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.77 -54.87 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 70.010000000000005 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -44.87 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 62.409999999999997 110.906 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.881 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.757 0.313 . . . . 73.109999999999999 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.56 -19.02 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 111.093 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.38 -54.87 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.239999999999995 111.16 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.497 HG22 ' CB ' ' A' ' 84' ' ' GLN . 71.0 p -46.05 -35.26 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 54.5 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -86.27 -36.34 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 110.953 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -19.61 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 63.420000000000002 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.36 -40.21 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 110.893 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 80' ' ' LEU . 1.6 m-85 -80.62 -37.72 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.109999999999999 110.89 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.84 61.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 111.125 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.37 -36.33 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.350000000000001 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -89.23 -27.1 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -71.9 -23.98 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 42.329999999999998 110.909 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -15.57 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 70.219999999999999 110.892 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -96.55 -1.68 46.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 55.329999999999998 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mt -112.22 -44.14 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 70.109999999999999 110.939 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 59' ' ' THR . 25.7 m-20 49.26 30.79 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 65.040000000000006 110.872 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -97.71 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 111.09 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -86.21 -60.28 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.892 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.01 -30.19 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.209999999999994 110.955 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.21 68.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.129999999999995 111.095 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HG2' ' ND2' ' A' ' 63' ' ' ASN . 4.0 mmmt -86.03 -16.88 36.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 71.140000000000001 110.926 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -82.19 -34.86 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.88 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.484 ' HB3' HD11 ' A' ' 55' ' ' ILE . 8.9 tpt -69.61 -35.59 75.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.299999999999997 110.848 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -20.8 59.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.430000000000007 110.877 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -81.19 -0.06 38.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.846 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.55 -36.52 55.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.340000000000003 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -24.42 56.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 53.509999999999998 110.887 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -75.72 -17.43 59.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 110.921 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -53.35 -22.41 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.61 -59.51 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.71 -27.21 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 72.340000000000003 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.17 9.85 30.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 43.450000000000003 111.098 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.46 -21.44 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 61.210000000000001 110.881 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 158.13 0.97 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 74.439999999999998 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.96 22.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 73.530000000000001 112.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.37 30.14 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 70.129999999999995 110.906 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 39' ' ' THR . 4.7 tt0 75.7 -59.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.889 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -41.87 52.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 71.239999999999995 111.136 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' GLU . 47.5 p 47.91 44.03 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.137 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.14 153.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.91 166.33 16.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.684 0.754 . . . . 62.210000000000001 110.878 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.1 Cg_endo -69.82 9.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 75.140000000000001 112.329 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 5.5 pt-20 -49.84 -35.66 23.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 60.299999999999997 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -23.22 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 70.409999999999997 110.852 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -21.47 60.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.06 -34.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.06 -46.48 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -54.25 -23.93 16.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.9 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -18.39 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.72 -21.33 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.349999999999994 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -46.15 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 61.219999999999999 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -45.02 61.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.109999999999999 110.922 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -24.84 16.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 73.200000000000003 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -30.93 23.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.530000000000001 110.904 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 23' ' ' MET . 62.2 mt -51.84 -62.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.115 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.78 -15.29 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.510000000000005 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.85 -38.24 54.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 64.230000000000004 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.05 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -46.51 -34.62 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 111.102 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.59 -40.07 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 70.310000000000002 110.86 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -84.23 -30.38 25.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -40.63 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' A' ' 21' ' ' LYS . 3.0 t30 -57.25 -21.02 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 72.530000000000001 110.876 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -37.97 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.887 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -43.9 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 73.349999999999994 110.876 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -74.48 -6.06 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 71.239999999999995 110.855 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -19.12 48.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 63.439999999999998 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.09 -30.68 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -102.91 1.19 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -62.89 -16.11 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 45.140000000000001 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.430000000000007 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -85.89 -21.44 28.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.129999999999995 110.837 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.758 ' CE1' HD13 ' A' ' 15' ' ' LEU . 21.9 m-85 -78.66 -47.78 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.409999999999997 110.877 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -54.85 -22.7 15.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.871 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.05 -29.82 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.140000000000001 111.096 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HD3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -50.04 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.93 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.97 -33.65 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.34 86.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 61.32 111.072 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -87.68 -20.61 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.885 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 80' ' ' LEU . 10.0 tt -50.5 -47.0 57.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 71.120000000000005 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -24.55 64.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 70.439999999999998 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.73 -22.59 27.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.892 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -48.71 -57.16 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.129999999999995 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 4' ' ' THR . 28.6 tp60 -82.8 -47.85 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 70.230000000000004 110.91 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -47.99 -33.43 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 65.230000000000004 110.896 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -92.77 -33.0 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 73.329999999999998 110.888 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.4 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 64.109999999999999 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -112.59 32.32 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 60.009999999999998 110.892 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -169.5 70.32 0.67 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 72.439999999999998 110.845 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 110.78 2.63 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.265 . . . . 70.540000000000006 112.361 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.92 -71.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 62.310000000000002 112.475 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 74.120000000000005 110.935 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' H3 ' ' CG ' ' A' ' 84' ' ' GLN . 4.1 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 73.5 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 -18.39 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 33.030000000000001 111.088 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.479 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 1.1 p -53.75 -64.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.154 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -85.41 -21.7 28.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 54.100000000000001 111.13 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.4 -54.02 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.209999999999994 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -20.37 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 52.020000000000003 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -87.55 -36.91 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.340000000000003 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.47 ' HD2' HD12 ' A' ' 80' ' ' LEU . 3.9 m-85 -79.64 -38.27 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.916 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.67 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.340000000000003 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.76 -28.44 21.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 111.145 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -30.47 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 65.329999999999998 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.14 -28.93 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.906 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.46 37.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.884 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.49 -1.6 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.040000000000006 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 4.2 mt -111.01 -42.45 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 60.219999999999999 110.929 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 51.21 32.02 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.886 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB1' ' HB2' ' A' ' 70' ' ' SER . . . -98.82 -63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 65.5 111.121 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -86.61 -60.49 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.210000000000001 110.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -52.35 -27.13 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.299999999999997 110.831 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.58 -36.53 63.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.019999999999996 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -22.36 29.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -40.86 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.94 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -32.67 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.030000000000001 110.849 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -56.64 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.200000000000003 110.907 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -85.26 -0.59 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.85 -37.59 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 61.219999999999999 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -51.63 -32.69 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.58 -51.37 7.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -22.0 52.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 71.25 110.868 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.98 -41.32 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.540000000000006 110.849 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -62.04 -16.82 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.86 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 -24.35 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.019999999999996 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 1.55 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.430000000000007 110.859 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 160.9 0.65 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 74.209999999999994 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 76.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 70.010000000000005 112.361 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -124.42 -51.75 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 110.881 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -117.48 -24.75 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 73.329999999999998 110.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 -14.82 30.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 64.329999999999998 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t 38.01 42.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 72.010000000000005 111.168 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.34 156.87 17.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.878 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.21 166.93 15.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 65.010000000000005 110.874 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.74 8.73 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 73.030000000000001 112.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -50.9 -32.59 21.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.894 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ptm -88.56 -25.37 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 60.409999999999997 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -22.13 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 64.430000000000007 110.858 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -85.01 -33.37 22.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 74.540000000000006 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -82.82 -45.5 14.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 53.439999999999998 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -53.95 -24.42 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 52.539999999999999 110.914 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.7 -19.24 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.420000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -85.57 -22.33 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.62 -49.07 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.209999999999994 110.85 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -45.56 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 71.340000000000003 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -52.26 -29.26 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.07 -30.68 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.420000000000002 110.873 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.86 HD13 HG21 ' A' ' 59' ' ' THR . 28.7 mm -49.22 -60.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.121 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.03 -20.97 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 70.219999999999999 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -62.19 -50.85 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.209999999999994 110.87 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 168.21 29.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 72.439999999999998 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.86 HG21 HD13 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -87.18 -35.54 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 74.0 111.142 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.99 -30.71 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.887 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -83.38 -31.45 26.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 71.519999999999996 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -41.43 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 63.399999999999999 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.67 -26.18 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.230000000000004 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -33.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 75.049999999999997 110.92 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -84.01 -51.28 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.75 -10.13 54.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 71.219999999999999 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.29 -22.09 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 72.219999999999999 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.19 -33.98 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.310000000000002 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.45 7.08 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 110.875 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.664 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.75 -9.84 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.877 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -42.37 97.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.400000000000006 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -86.27 -21.54 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 20.0 m-85 -79.04 -51.36 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 61.020000000000003 110.902 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.96 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.905 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.44 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 111.081 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.69 -37.14 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 72.420000000000002 110.921 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -49.83 -36.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.450000000000003 110.826 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.3 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.420000000000002 111.099 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -87.3 -21.84 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.340000000000003 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 8' ' ' PHE . 7.4 tt -52.16 -42.45 63.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -26.93 68.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.885 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -83.83 -41.71 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.530000000000001 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -55.59 -25.09 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.92 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.419 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -51.12 -45.39 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 55.100000000000001 110.894 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -84.37 -36.41 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.15 -54.58 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 70.299999999999997 110.866 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 3' ' ' THR . . . -52.63 -58.96 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.209999999999994 111.08 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 56.83 24.13 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.878 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -114.51 72.48 2.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 73.519999999999996 110.891 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -27.03 26.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 74.409999999999997 112.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.23 -45.74 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 41.299999999999997 112.457 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 74.129999999999995 110.888 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 73.219999999999999 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -57.45 -18.56 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 111.1 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -64.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 70.319999999999993 111.126 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -90.73 -20.15 22.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 72.400000000000006 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.69 -54.92 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 18.9 tt0 -64.07 -20.52 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -87.4 -36.65 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 72.030000000000001 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' HD1' HD12 ' A' ' 80' ' ' LEU . 3.5 m-85 -78.99 -38.84 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 64.439999999999998 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.65 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 53.149999999999999 111.094 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.28 -30.51 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 53.420000000000002 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -87.71 -29.44 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.209999999999994 110.962 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.087 HD13 HD12 ' A' ' 15' ' ' LEU . 2.6 mm? -77.25 -24.21 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -15.54 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.019999999999996 110.903 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.7 -0.73 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.864 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.087 HD12 HD13 ' A' ' 12' ' ' LEU . 7.1 mt -108.08 -47.09 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.574 ' HB3' HG23 ' A' ' 59' ' ' THR . 16.3 m-20 50.93 26.26 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.856 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.29 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.520000000000003 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -58.64 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.922 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.07 -49.28 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 110.889 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.5 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 63.030000000000001 111.115 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' HG3' HD22 ' A' ' 63' ' ' ASN . 0.1 OUTLIER -85.03 -23.68 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 110.864 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -39.61 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 71.120000000000005 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -59.86 -39.1 84.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.209999999999994 110.855 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.04 -21.11 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 63.549999999999997 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.2 0.75 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.140000000000001 110.809 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -35.04 36.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -57.5 -26.46 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 51.539999999999999 110.894 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -83.45 -16.33 46.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 52.340000000000003 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -51.4 -22.57 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 63.240000000000002 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -49.38 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.409999999999997 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -73.68 -25.18 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.853 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.19 10.2 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.120000000000005 111.093 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.78 -21.31 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.519999999999996 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 162.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 60.219999999999999 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 138.7 38.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 75.109999999999999 112.367 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.05 30.1 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.89 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER 75.91 -58.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 73.439999999999998 110.879 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.31 49.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.329999999999998 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p 48.42 33.95 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 71.120000000000005 111.156 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.7 168.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.907 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.22 166.93 15.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 74.340000000000003 110.885 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 9.54 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 72.530000000000001 112.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -26.8 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.32 110.836 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -31.32 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.310000000000002 110.886 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -68.91 -22.85 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 51.439999999999998 110.882 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.3 -33.98 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.849 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -83.75 -48.35 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.09 -24.0 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -20.02 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 63.43 110.866 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -22.37 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -47.48 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.109999999999999 110.864 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.62 62.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.896 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -53.3 -26.82 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 65.129999999999995 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -31.73 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.862 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.1 mt -51.87 -62.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 75.120000000000005 111.112 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.82 -15.31 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 54.229999999999997 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.34 -39.1 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 54.119999999999997 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 177.41 -32.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -45.86 -34.31 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.16 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.52 -36.87 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.847 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.69 -39.77 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.409999999999997 110.902 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -41.66 88.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.100000000000001 110.877 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.495 HD22 ' HG3' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -52.65 -24.97 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.129999999999995 110.92 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -32.67 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -84.09 -52.14 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.010000000000005 110.95 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -12.36 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.230000000000004 110.906 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -24.47 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 72.549999999999997 110.842 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 52.229999999999997 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -102.93 7.64 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.849 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.1 p -62.25 -16.46 53.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.219999999999999 110.885 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.94 -41.55 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 53.509999999999998 110.869 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -21.41 28.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 74.319999999999993 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 15' ' ' LEU . 19.7 m-85 -79.97 -51.43 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.019999999999996 110.898 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -58.31 -22.77 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 71.430000000000007 110.888 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.67 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 74.439999999999998 111.072 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.41 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.439999999999998 110.929 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.19 -36.59 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 65.209999999999994 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.1 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 111.099 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -87.65 -22.39 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 55.130000000000003 110.883 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 80' ' ' LEU . 7.2 tt -52.82 -42.21 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.77 -26.74 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 110.946 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -44.57 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 62.299999999999997 110.906 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -27.98 40.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.938 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -43.53 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 32.520000000000003 110.939 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -84.27 -38.7 20.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.349999999999994 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -51.81 -47.44 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 72.040000000000006 110.91 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -58.7 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 42.409999999999997 111.117 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 57.65 23.45 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -119.7 69.09 12.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 64.239999999999995 110.847 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.84 30.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 64.030000000000001 112.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.08 145.18 19.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 34.200000000000003 112.517 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 53.420000000000002 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.807 0.337 . . . . 62.340000000000003 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.8 -18.25 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 70.510000000000005 111.102 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -47.93 -64.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 111.13 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -47.23 -40.03 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.400000000000006 111.166 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -69.18 -43.29 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 73.030000000000001 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.39 -20.84 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 71.239999999999995 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.38 -36.64 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.76 ' CD1' HD12 ' A' ' 80' ' ' LEU . 2.6 m-85 -81.65 -39.09 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.310000000000002 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -19.89 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 65.400000000000006 111.102 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.61 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -88.23 -29.81 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -83.28 -25.11 31.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 55.119999999999997 110.927 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -16.51 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.329999999999998 110.853 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -101.95 -0.9 33.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.836 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.6 mt -114.35 -43.41 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.6 m-20 50.51 35.0 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.349999999999994 110.89 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.41 -61.54 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 60.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -85.52 -61.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.72 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -50.01 -54.15 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 63.439999999999998 110.867 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -58.51 -22.47 55.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.088 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -85.36 -33.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.530000000000001 110.874 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -79.7 -35.7 38.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 55' ' ' ILE . 1.4 mpp? -55.7 -28.54 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.409999999999997 110.852 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -21.27 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 51.240000000000002 110.838 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.49 0.02 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.120000000000005 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -36.47 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -24.02 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 54.409999999999997 110.885 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -79.97 -17.48 52.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -22.61 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.825 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.4 -59.35 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 65.129999999999995 110.932 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.5 -27.28 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 72.099999999999994 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 9.87 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 42.420000000000002 111.063 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -56.6 -21.21 25.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.510000000000005 110.897 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.23 162.33 0.52 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 71.450000000000003 110.837 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.78 21.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 74.439999999999998 112.332 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.86 29.98 7.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 110.843 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.87 -58.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 110.872 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.99 -29.61 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.019999999999996 111.108 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t 39.43 40.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.14 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.89 157.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.299999999999997 110.947 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.93 166.35 16.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 75.209999999999994 110.838 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.73 8.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 74.150000000000006 112.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -50.13 -33.43 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.838 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.46 -26.28 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.200000000000003 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -21.28 59.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.917 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.72 -34.33 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -84.01 -46.27 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.310000000000002 110.842 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -53.5 -24.74 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 54.409999999999997 110.91 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -19.76 58.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.86 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -84.78 -22.46 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.420000000000002 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -48.23 11.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.02 63.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 73.120000000000005 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.28 -27.08 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 72.109999999999999 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -32.8 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 23' ' ' MET . 71.6 mt -53.9 -62.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.219999999999999 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.61 -15.61 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 74.400000000000006 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -78.67 -36.96 43.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 74.349999999999994 110.891 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.566 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.1 m -47.65 -32.98 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 64.329999999999998 111.128 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' HG22 ' A' ' 55' ' ' ILE . 18.1 t0 -49.75 -33.75 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.848 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.2 -41.84 16.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.010000000000005 110.903 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -40.26 88.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 62.520000000000003 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 7.0 t-20 -54.4 -22.47 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 52.240000000000002 110.908 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -28.36 22.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.109999999999999 110.926 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -52.72 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.876 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -65.82 -11.92 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.530000000000001 110.865 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -50.83 -26.6 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.420000000000002 110.891 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -40.16 89.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.875 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -93.26 7.98 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.420000000000002 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -9.09 42.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.209999999999994 110.877 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.25 -42.95 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.510000000000005 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -86.78 -22.6 25.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.510000000000005 110.844 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 15' ' ' LEU . 23.5 m-85 -80.99 -49.97 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.430000000000007 110.887 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -21.66 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.48 -28.68 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 73.439999999999998 111.056 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -48.92 -38.01 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 110.851 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -36.39 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.519999999999996 110.868 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.26 87.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 55.439999999999998 111.097 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -87.15 -21.07 26.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.030000000000001 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.76 HD12 ' CD1' ' A' ' 8' ' ' PHE . 9.2 tt -49.38 -49.57 44.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.928 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -31.75 14.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.439999999999998 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.78 -38.2 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -22.2 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.527 ' N ' HG23 ' A' ' 4' ' ' THR . 0.4 OUTLIER -47.91 -32.11 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 72.530000000000001 110.91 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -84.7 -47.42 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 61.109999999999999 110.89 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -51.48 -30.51 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 61.009999999999998 110.887 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -58.95 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.099999999999994 111.108 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 53.72 26.7 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.93 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' HB2' HG22 ' A' ' 3' ' ' THR . 1.1 m-85 -86.23 160.43 51.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 74.150000000000006 110.876 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.94 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.272 . . . . 73.019999999999996 112.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.01 -172.86 12.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 73.409999999999997 112.491 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.848 0.356 . . . . 72.239999999999995 110.884 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.775 0.322 . . . . 70.239999999999995 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.15 -22.14 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 73.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -49.91 -64.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 111.169 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.8 t -90.89 -20.58 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 64.450000000000003 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' OH ' HD13 ' A' ' 81' ' ' LEU . 21.5 m-30 -75.01 -51.72 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.913 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -19.84 66.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 74.319999999999993 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -87.32 -37.41 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.9 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 80' ' ' LEU . 3.6 m-85 -79.63 -38.99 32.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 71.230000000000004 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.430000000000007 111.118 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 -29.28 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 63.039999999999999 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -87.27 -31.15 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.200000000000003 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 19' ' ' PHE . 2.5 mm? -70.43 -25.51 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.519999999999996 110.893 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -11.02 39.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.892 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.484 ' C ' HD23 ' A' ' 15' ' ' LEU . 2.5 mtt180 -105.27 -2.13 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.010000000000005 110.85 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -113.39 -41.39 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.919 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 33.0 m-20 54.32 38.49 29.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.219999999999999 110.883 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -99.62 -65.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 60.100000000000001 111.114 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -88.8 -60.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.8 m-85 -54.87 -21.97 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.865 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB1' ' CG2' ' A' ' 59' ' ' THR . . . -71.2 -44.38 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 55.25 111.119 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -85.17 -14.52 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.430000000000007 110.844 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -37.71 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 73.010000000000005 110.927 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.6 tpp -61.93 -25.55 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.896 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -49.09 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 54.530000000000001 110.867 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.69 0.05 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 53.5 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -59.37 -30.41 68.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.120000000000005 110.91 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -57.03 -33.85 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -52.86 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.856 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -59.43 -20.44 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 73.209999999999994 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.78 -45.86 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.29 -21.07 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.12 -16.83 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 70.439999999999998 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.91 6.0 30.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 55.329999999999998 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.59 157.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 74.140000000000001 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.55 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 73.219999999999999 112.35 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.32 -49.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.82 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -116.55 -26.3 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.865 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -84.36 -22.43 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 54.509999999999998 111.104 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.3 t 35.97 66.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 70.129999999999995 111.129 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 40' ' ' LEU . 1.8 pt? -119.66 169.41 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.549999999999997 110.925 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.79 166.52 15.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.699 0.761 . . . . 35.310000000000002 110.842 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 9.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.673 2.248 . . . . 71.209999999999994 112.369 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.16 -33.5 19.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -25.73 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.829 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -70.71 -51.94 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.340000000000003 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.21 -42.32 75.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.150000000000006 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -62.49 -46.01 90.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.878 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.8 -23.98 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.66 -19.9 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -21.82 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.925 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.71 -43.74 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 65.510000000000005 110.921 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.16 -44.94 61.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 73.219999999999999 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -57.39 -29.26 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 72.450000000000003 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.469 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.7 -19.89 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.129999999999995 110.885 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -65.18 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -15.49 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.942 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -63.58 -47.95 79.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.875 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.23 42.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.010000000000005 110.858 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.673 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 2.9 m -86.02 -36.8 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.099999999999994 111.183 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.74 -30.74 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.872 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -29.83 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.909 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -57.74 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.519999999999996 110.894 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.42 -27.85 2.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 72.150000000000006 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -42.19 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -85.72 -48.37 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.918 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.815 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 1.1 tpt -63.84 -14.5 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.908 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -22.41 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 52.399999999999999 110.806 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.24 -34.53 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -102.98 -3.77 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.430000000000007 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.608 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 55.9 p -70.18 -10.3 58.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 110.826 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -42.32 89.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.350000000000001 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -85.76 -21.5 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 17.3 m-85 -77.58 -52.29 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 70.150000000000006 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -52.15 -27.69 15.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 60.200000000000003 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.18 -31.87 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 64.340000000000003 111.081 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -36.58 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 65.450000000000003 110.936 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -37.46 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.887 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.98 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.409999999999997 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -88.03 -22.33 24.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 71.430000000000007 110.857 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -51.6 -43.81 62.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.907 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -58.05 -31.89 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.150000000000006 110.932 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -85.66 -35.48 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 62.350000000000001 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -23.5 43.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 65.129999999999995 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -49.97 -30.98 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -84.15 -52.93 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 65.219999999999999 110.906 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.88 -41.72 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.908 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.8 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 30.41 111.068 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 57.01 24.05 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.140000000000001 110.929 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' HB2' HG22 ' A' ' 3' ' ' THR . 2.8 m-85 -67.94 160.4 74.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 70.510000000000005 110.91 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.86 38.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.248 . . . . 73.340000000000003 112.399 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.83 -78.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 50.350000000000001 112.446 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 71.209999999999994 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 73.219999999999999 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -56.05 -19.66 13.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 111.114 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -64.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 53.25 111.146 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -90.59 -20.49 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 111.171 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.41 -53.83 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.09 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.450000000000003 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.08 -36.95 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.319999999999993 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.09 -38.0 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.829 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -16.2 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.32 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 61.219999999999999 111.142 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -89.42 -29.27 19.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.918 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.839 HD23 HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.35 -25.13 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 110.917 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.64 -15.41 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.049999999999997 110.89 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -1.55 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 65.319999999999993 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HD23 ' A' ' 12' ' ' LEU . 65.5 mt -93.34 -49.27 6.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 65.310000000000002 110.92 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 4.8 m-20 61.76 16.26 7.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.409999999999997 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 70' ' ' SER . . . -98.4 -63.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -86.62 -58.74 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 54.130000000000003 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -49.83 -56.55 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.019999999999996 110.881 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -55.23 -25.02 30.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 50.219999999999999 111.084 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.9 -22.31 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 74.349999999999994 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -81.1 -39.85 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.540000000000006 110.91 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.634 ' HB2' HD11 ' A' ' 55' ' ' ILE . 21.2 mmt -55.74 -35.6 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.230000000000004 110.878 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -24.49 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -81.59 0.04 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.430000000000007 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -42.24 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 71.329999999999998 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.07 -35.6 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 62.200000000000003 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -83.95 -17.83 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 61.240000000000002 110.969 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -21.86 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.888 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.38 -55.59 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -57.65 -29.0 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 63.420000000000002 110.878 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.53 8.73 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 24.32 111.101 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.23 -21.71 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.864 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 mmmp? -49.85 108.47 1.0 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.509 0.671 . . . . 64.5 110.935 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.0 Cg_endo -69.74 98.54 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 70.420000000000002 112.344 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -125.19 -51.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 72.299999999999997 110.84 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 38' ' ' ALA . 1.2 pp20? -99.92 -34.61 10.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.519999999999996 110.889 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . . . -89.94 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.129999999999995 111.11 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 35' ' ' PRO . 5.1 p 51.77 28.81 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.450000000000003 111.119 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD11 ' HG2' ' A' ' 44' ' ' MET . 1.8 pt? -82.36 176.16 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.914 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -93.49 167.75 13.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 50.299999999999997 110.863 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.75 8.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 31.34 112.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -51.9 -30.02 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.400000000000006 110.866 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.482 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -84.59 -28.78 26.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 73.319999999999993 110.862 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -67.84 -22.99 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.140000000000001 110.906 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.67 -35.65 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.120000000000005 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.04 -48.86 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -55.45 -24.97 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 110.942 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.47 -17.29 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 74.549999999999997 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -85.46 -20.93 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 110.913 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.63 -40.58 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.31 -44.4 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.05 -25.6 22.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 52.549999999999997 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -32.77 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.210000000000001 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 23' ' ' MET . 77.4 mt -52.95 -63.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 70.340000000000003 111.138 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.36 -15.1 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.939 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.18 -36.93 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.893 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.98 -31.4 5.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 111.147 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' ILE . 7.1 t70 -51.87 -33.2 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.530000000000001 110.87 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -82.98 -39.57 21.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 1.3 t80 -65.67 -34.09 77.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.556 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 9.1 t-20 -67.5 -20.83 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 71.439999999999998 110.847 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.84 -36.14 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 62' ' ' PHE . 13.4 ptmt -84.38 -45.03 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 72.349999999999994 110.892 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 11.5 mmt -68.65 -11.46 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.883 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.11 -25.59 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.832 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -61.0 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.883 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -79.15 -10.76 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.329999999999998 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 1.5 p -69.67 -9.32 53.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 50.039999999999999 110.817 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.13 -43.16 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 53.420000000000002 110.846 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -86.42 -21.39 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.78 -22.84 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.310000000000002 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.06 -30.06 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.092 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -37.18 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 65.540000000000006 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -38.7 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 74.239999999999995 110.872 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.75 80.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 40.100000000000001 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -89.2 -23.63 22.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 12' ' ' LEU . 17.4 mt -54.55 -47.92 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.06 -17.78 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 70.430000000000007 110.896 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.49 -24.4 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 64.450000000000003 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -49.36 -57.27 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.219999999999999 110.917 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -82.95 -49.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -46.85 -57.07 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -66.45 -34.29 77.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 64.439999999999998 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -59.19 -58.8 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.102 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.15 -64.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.109999999999999 110.929 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' N ' ' HD2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 179.73 -61.12 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 75.340000000000003 110.86 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 89' ' ' PHE . 53.3 Cg_endo -69.79 80.95 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 74.439999999999998 112.314 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.09 -144.1 14.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 61.210000000000001 112.49 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 71.409999999999997 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.787 0.327 . . . . 55.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -62.2 -17.95 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 43.240000000000002 111.13 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -62.84 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 65.519999999999996 111.151 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 84' ' ' GLN . 32.2 p -46.24 -45.64 17.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 54.520000000000003 111.161 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.13 -41.01 74.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 64.400000000000006 110.944 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.73 -19.69 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 73.010000000000005 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' HE22 ' A' ' 83' ' ' GLN . 3.9 tt0 -87.58 -40.32 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 72.010000000000005 110.885 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CD1' HD22 ' A' ' 80' ' ' LEU . 2.9 m-85 -71.26 -42.88 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 73.340000000000003 110.898 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -63.08 -18.62 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.240000000000002 111.106 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.84 18.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -27.76 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 64.230000000000004 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -85.25 -24.09 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.209999999999994 110.907 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 -17.44 32.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 42.530000000000001 110.876 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -94.28 -1.07 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.130000000000003 110.861 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -118.16 -42.63 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.129999999999995 110.899 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 47.75 34.57 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.85 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.92 -61.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 64.230000000000004 111.085 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -87.08 -51.59 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 64.239999999999995 110.895 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -52.76 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 62.299999999999997 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -64.79 -22.46 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.078 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -85.81 -22.62 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -29.4 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 110.878 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.96 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.439999999999998 110.869 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.55 -40.36 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -80.83 -0.88 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.240000000000002 110.882 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.4 -24.61 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.846 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -63.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.937 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -21.85 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -79.0 -7.97 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 65.219999999999999 110.871 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -121.84 -20.91 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 75.310000000000002 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.71 -40.56 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 111.088 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.31 6.68 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 72.5 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.74 106.74 0.65 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.551 0.691 . . . . 74.400000000000006 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 73.030000000000001 112.317 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.0 m-20 -106.12 28.35 7.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.209999999999994 110.876 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 76.84 -57.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 110.865 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -95.67 -56.05 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.43 111.077 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 78.64 -5.13 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 111.123 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -178.19 -165.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.129999999999995 110.946 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.452 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -88.9 168.28 16.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 52.530000000000001 110.872 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.38 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 73.530000000000001 112.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 3.0 pt-20 -56.43 -36.11 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.835 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 40' ' ' LEU . 2.3 ptt? -89.56 -24.84 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.875 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -78.58 -21.32 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 110.931 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -84.54 -33.33 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 20.0 t-80 -84.2 -45.6 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.857 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.27 -25.17 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.099999999999994 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.13 -18.89 63.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 60.409999999999997 110.9 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -82.79 -22.42 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 65.200000000000003 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -44.59 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 65.319999999999993 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.36 -44.98 95.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 110.888 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -53.24 -24.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.109999999999999 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.25 -31.66 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 71.019999999999996 110.865 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 61.5 mt -51.56 -61.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.230000000000004 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.37 -14.9 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 110.861 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -38.26 47.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 73.420000000000002 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.91 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.03 -31.0 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.319999999999993 111.163 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.14 -34.47 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.897 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -83.89 -41.56 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.9 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.68 -58.33 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.030000000000001 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 30.6 t30 -52.34 -22.27 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 64.239999999999995 110.858 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.73 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -84.61 -41.95 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.150000000000006 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.85 -7.53 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 52.43 110.857 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.34 -26.23 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.65 -30.84 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.844 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.68 7.13 31.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 62.539999999999999 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 m -71.39 -8.76 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 64.209999999999994 110.855 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.4 -43.48 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 74.310000000000002 110.925 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -86.56 -22.99 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 72.409999999999997 110.853 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 15' ' ' LEU . 17.7 m-85 -80.33 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 73.010000000000005 110.89 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -23.54 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.219999999999999 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.12 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 42.130000000000003 111.089 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.07 -39.76 75.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.519999999999996 110.926 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.47 -38.38 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 61.25 110.845 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.37 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.239999999999995 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -89.47 -21.7 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.748 HD22 ' CD1' ' A' ' 8' ' ' PHE . 18.0 mt -56.73 -51.97 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 64.519999999999996 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -35.32 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 74.140000000000001 110.941 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.22 -29.28 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 74.450000000000003 110.904 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 7' ' ' GLU . 1.6 tm0? -48.83 -58.32 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 110.9 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.601 ' HB3' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -78.29 -55.52 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 61.140000000000001 110.874 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.61 -61.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 74.329999999999998 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.14 -33.94 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 64.25 110.87 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -66.15 -26.88 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 55.450000000000003 111.089 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -74.26 -26.28 60.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.129999999999995 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 58.05 71.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.74 . . . . 63.409999999999997 110.874 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 134.18 27.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.276 . . . . 73.549999999999997 112.383 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -110.66 84.68 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 55.399999999999999 112.443 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 70.409999999999997 110.894 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.841 0.353 . . . . 73.319999999999993 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' TYR . . . -60.56 -17.34 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.753 HG21 ' HA ' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -51.03 -65.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 54.119999999999997 111.177 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 87' ' ' ALA . 70.2 p -88.14 -21.29 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 2' ' ' ALA . 5.4 m-85 -72.82 -51.78 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 75.25 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.65 -20.28 66.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 72.120000000000005 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -88.2 -37.8 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.864 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.9 m-85 -76.18 -38.76 56.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.831 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.85 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . . . -89.29 -30.27 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 65.230000000000004 111.093 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -87.19 -29.75 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.944 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.682 HD13 HD12 ' A' ' 15' ' ' LEU . 3.3 mm? -68.51 -25.08 64.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.099999999999994 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -13.93 25.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.86 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' C ' HD23 ' A' ' 15' ' ' LEU . 17.3 mmt180 -100.17 -1.21 37.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.439999999999998 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 12' ' ' LEU . 3.5 mt -111.85 -42.75 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 74.019999999999996 110.885 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 50.2 m-20 51.77 34.49 13.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.905 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.8 -64.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.409999999999997 111.111 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.33 -61.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.9 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.14 -19.73 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 75.230000000000004 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -78.01 -40.76 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 111.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -85.42 -24.9 27.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.219999999999999 110.91 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.74 -41.29 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.886 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -35.57 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 110.9 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.13 -21.0 64.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.866 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.89 0.39 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.3 -34.48 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.17 -22.8 52.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.119999999999997 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -16.1 53.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.450000000000003 110.903 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -51.06 -22.99 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 110.85 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -57.9 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.937 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.43 -26.66 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 10.56 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -21.01 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -49.52 163.06 0.4 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 71.109999999999999 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 50.439999999999998 112.367 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.9 m-20 -122.76 30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.109999999999999 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER 76.22 -59.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.230000000000004 110.87 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.17 -39.51 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 64.450000000000003 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.0 p 49.11 40.74 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 111.158 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.78 153.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 110.893 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.21 167.4 14.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 50.25 110.865 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 10.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 72.549999999999997 112.367 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -26.76 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -88.07 -22.26 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 65.329999999999998 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.13 -24.56 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.06 -38.61 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.030000000000001 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 t60 -77.06 -45.27 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.844 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -52.75 -23.9 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 65.420000000000002 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.48 -19.61 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.010000000000005 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -22.62 25.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 64.409999999999997 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -36.11 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.430000000000007 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 55' ' ' ILE . 5.6 pt-20 -57.47 -27.42 62.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 70.329999999999998 110.868 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -77.13 -21.26 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 75.239999999999995 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -41.94 14.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 74.430000000000007 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 1.3 tt -57.86 -43.95 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 61.549999999999997 111.135 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -80.76 -15.67 55.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.942 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 1.4 mm-40 -77.42 -51.02 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 62.240000000000002 110.847 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER 165.39 36.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 65.25 110.869 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -84.99 -31.96 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.409999999999997 111.151 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -50.48 -31.22 14.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 70.540000000000006 110.861 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -38.81 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.35 -40.56 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.611 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.12 -26.73 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.140000000000001 110.893 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -79.16 -31.46 43.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -82.69 -52.37 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.865 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.96 -10.26 56.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 65.120000000000005 110.88 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -20.53 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.530000000000001 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.39 -39.32 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 64.349999999999994 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -102.84 2.99 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 73.099999999999994 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.747 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 65.8 p -72.46 -8.81 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 110.871 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.15 -21.49 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.549999999999997 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.97 -51.89 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 110.871 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.69 -23.52 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 62.340000000000003 110.946 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.54 -31.46 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 40.409999999999997 111.098 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HG3' HD12 ' A' ' 80' ' ' LEU . 3.7 tppt? -50.19 -38.3 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.239999999999995 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -36.73 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.881 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.85 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 65.349999999999994 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -88.11 -21.79 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD12 ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.75 -40.81 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.150000000000006 110.924 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.75 -31.04 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -85.99 -33.44 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.439999999999998 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.451 ' C ' HG21 ' A' ' 4' ' ' THR . 3.7 tt0 -74.34 -30.12 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.299999999999997 110.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -50.68 -30.9 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.219999999999999 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -51.69 -47.57 63.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 52.420000000000002 110.901 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.49 ' HB3' HG23 ' A' ' 4' ' ' THR . . . -70.02 -24.37 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 61.299999999999997 111.121 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.753 ' HA ' HG21 ' A' ' 3' ' ' THR . 9.4 tm0? -77.89 -25.22 48.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 75.310000000000002 110.913 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.9 t80 52.87 73.18 0.98 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.675 0.75 . . . . 74.230000000000004 110.911 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 74.200000000000003 112.309 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -109.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 72.319999999999993 112.504 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 65.239999999999995 110.888 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 75.239999999999995 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -57.85 -18.12 20.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 53.43 111.103 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 73.140000000000001 111.144 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.34 -21.41 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 51.450000000000003 111.096 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.73 ' OH ' HD13 ' A' ' 40' ' ' LEU . 7.5 m-85 -72.91 -51.68 17.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 71.219999999999999 110.906 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.25 -20.96 66.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.099999999999994 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -89.25 -37.4 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.863 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 80' ' ' LEU . 3.3 m-85 -78.47 -39.12 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.099999999999994 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -62.04 -19.67 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 71.349999999999994 111.094 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.73 -33.54 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 51.130000000000003 111.107 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -28.51 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.539999999999999 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 15' ' ' LEU . 4.2 mm? -76.72 -30.49 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 71.109999999999999 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.52 -16.7 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -97.36 -1.83 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.893 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 12' ' ' LEU . 13.2 mt -103.64 -45.89 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.209999999999994 110.909 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 59' ' ' THR . 88.9 m-20 58.89 20.85 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.329999999999998 110.895 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.38 -59.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.230000000000004 111.114 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -85.93 -49.75 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 54.350000000000001 110.877 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -51.67 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.209999999999994 110.886 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -51.36 -25.06 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 74.099999999999994 111.095 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -27.1 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.310000000000002 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -61.83 -48.45 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 62.149999999999999 110.897 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -25.65 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.319999999999993 110.89 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -83.84 -19.82 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.71 0.06 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 63.310000000000002 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.6 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 60.439999999999998 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.81 -36.14 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.891 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -83.47 -16.29 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.540000000000006 110.915 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -51.59 -22.29 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -76.89 -47.24 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 61.240000000000002 110.909 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -76.15 -25.1 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 44.210000000000001 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.2 10.3 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.299999999999997 111.091 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.63 -21.22 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.819 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.5 157.94 0.87 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 72.299999999999997 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.42 67.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 61.109999999999999 112.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -121.26 27.69 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.150000000000006 110.863 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.77 -58.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.895 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -32.23 16.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t 38.42 41.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 70.510000000000005 111.131 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -54.46 174.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 42.450000000000003 110.89 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -94.59 167.04 13.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 73.439999999999998 110.834 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.77 9.33 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 70.120000000000005 112.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -53.55 -25.91 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.901 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -79.35 -30.04 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.010000000000005 110.901 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -67.5 -23.76 65.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 75.099999999999994 110.933 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.91 -35.67 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 11.2 t-80 -80.61 -48.5 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.55 -24.21 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.129999999999995 110.955 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -19.82 54.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 53.450000000000003 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -21.96 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 73.099999999999994 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 55' ' ' ILE . 11.5 pt-20 -50.58 -42.49 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.855 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -52.99 -22.94 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.430000000000007 110.873 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -33.89 24.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.439999999999998 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 2.3 tt -59.71 -36.82 68.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 111.176 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.62 -15.59 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 72.319999999999993 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.24 -37.34 33.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.439999999999998 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 51.439999999999998 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.2 m -45.44 -31.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 73.129999999999995 111.11 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.13 -39.65 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 74.299999999999997 110.846 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -83.37 -31.91 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.400000000000006 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -37.0 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 110.883 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.85 -24.32 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -80.67 -32.53 36.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -52.64 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.010000000000005 110.943 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.616 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.21 -6.91 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.319999999999993 110.915 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -22.25 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.866 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.26 -38.17 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -103.42 6.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 83.8 p -70.67 -9.69 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.856 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.13 -41.15 95.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 71.109999999999999 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -86.33 -21.4 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.230000000000004 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CD2' HD13 ' A' ' 15' ' ' LEU . 22.6 m-85 -80.37 -50.39 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 110.867 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.69 -23.08 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.914 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.03 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.09 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -48.82 -43.98 38.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 44.329999999999998 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -47.93 -35.26 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.44 90.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 64.010000000000005 111.127 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.11 -21.7 36.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 80' ' ' LEU . 7.7 tt -51.07 -40.53 58.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.430000000000007 110.901 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 45.240000000000002 110.907 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.92 -47.77 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 70.420000000000002 110.85 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -22.53 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -50.27 -30.38 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -78.87 -45.9 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 64.349999999999994 110.961 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.08 -33.17 75.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.319999999999993 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.8 -53.77 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.329999999999998 111.12 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -97.94 33.49 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.926 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 63.24 160.47 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 72.299999999999997 110.888 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.8 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 75.140000000000001 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -158.05 115.5 0.66 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 71.209999999999994 112.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.219999999999999 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 61.32 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.94 -27.37 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 51.119999999999997 111.109 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -54.76 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 63.310000000000002 111.159 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.64 -41.19 41.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 111.166 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -41.43 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.898 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -65.34 -21.39 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 65.430000000000007 110.853 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.89 -41.1 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CD2' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.21 -45.57 87.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 52.539999999999999 110.906 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.21 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 52.340000000000003 111.085 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -32.35 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.119999999999997 111.091 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' CG ' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -87.2 -15.3 38.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 52.049999999999997 110.882 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 19' ' ' PHE . 43.5 mt -97.16 -38.82 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.329999999999998 110.936 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.99 -17.07 35.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 64.530000000000001 110.869 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -93.25 -0.93 56.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 60.450000000000003 110.846 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -112.82 -52.26 2.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 61.32 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' THR . 7.9 m-20 46.46 28.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.230000000000004 110.848 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -100.75 -63.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.439999999999998 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -86.39 -61.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -53.87 -24.69 16.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.846 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 63' ' ' ASN . . . -68.36 -41.01 81.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.019999999999996 111.077 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -85.64 -27.25 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 70.450000000000003 110.913 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -78.02 -40.27 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.430000000000007 110.889 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 tpt -55.24 -35.33 64.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 55.020000000000003 110.844 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.43 -20.85 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 61.43 110.942 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.22 0.18 33.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 54.009999999999998 110.91 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.45 -28.62 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 72.099999999999994 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -57.85 -20.9 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 43.439999999999998 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -78.27 -16.41 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.854 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -22.47 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.120000000000005 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -78.28 -53.03 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 64.519999999999996 110.857 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -66.56 -27.42 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.86 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 10.56 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 111.135 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -56.02 -21.57 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.299999999999997 110.89 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 156.48 1.64 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 74.430000000000007 110.882 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 92.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 74.019999999999996 112.317 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 13.9 m-20 -124.85 27.93 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 110.835 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.5 tt0 80.74 -34.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.020000000000003 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.74 -2.14 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.439999999999998 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 p -77.26 49.53 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.46 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.120000000000005 110.943 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -91.51 165.89 19.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 74.010000000000005 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.8 7.97 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.685 2.257 . . . . 75.329999999999998 112.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 44' ' ' MET . 6.6 pt-20 -49.18 -42.75 40.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.411 ' N ' ' CG ' ' A' ' 43' ' ' GLU . 4.6 mtt -93.24 -19.29 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.519999999999996 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -64.55 -20.27 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -84.27 -35.56 23.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.924 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -35.72 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 61.32 110.84 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -54.48 -25.17 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.239999999999995 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.43 -18.78 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.230000000000004 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -83.28 -21.69 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.349999999999994 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -79.26 -51.77 9.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 74.430000000000007 110.889 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -55.4 -24.49 30.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 54.310000000000002 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 mtm -87.2 -30.88 20.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 64.230000000000004 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.2 mt -51.66 -62.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.329999999999998 111.153 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 110.883 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -38.39 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.75 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.319999999999993 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -47.59 -34.03 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 64.540000000000006 111.193 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.04 -36.65 70.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.863 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -83.21 -28.48 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 62.549999999999997 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -74.74 -34.54 62.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 75.299999999999997 110.908 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -54.85 -22.23 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.310000000000002 110.89 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -87.09 -28.46 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 53.420000000000002 110.871 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.41 -52.55 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.239999999999995 110.878 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -68.89 -8.19 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 60.539999999999999 110.879 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.22 -21.28 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.87 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -35.38 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -103.02 7.14 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 70.099999999999994 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 82.9 p -69.37 -10.74 59.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 61.32 110.841 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -37.68 58.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 110.847 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.9 -21.54 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.310000000000002 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.739 ' CD1' HD13 ' A' ' 15' ' ' LEU . 14.0 m-85 -75.24 -53.02 9.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -27.56 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.89 -42.44 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -56.05 -34.18 65.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.917 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -47.06 -40.76 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.349999999999994 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.62 80.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.010000000000005 111.109 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -86.6 -22.82 26.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 11' ' ' LYS . 1.4 mm? -59.13 -50.52 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 70.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.34 -30.68 71.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 61.530000000000001 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -80.18 -25.26 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.239999999999995 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -50.25 -54.67 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.009999999999998 110.959 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -82.53 -47.66 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -49.24 -32.21 10.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.902 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.31 -44.52 78.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.56 -58.77 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 111.142 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 57.6 23.45 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.99 160.51 2.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 72.409999999999997 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.82 34.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 54.420000000000002 112.362 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.9 -70.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 44.439999999999998 112.505 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 pttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 71.439999999999998 110.872 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.209999999999994 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -83.36 -21.01 33.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -51.56 -41.32 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.519999999999996 111.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -51.66 -21.66 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 73.239999999999995 111.154 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -87.31 -43.35 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.892 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' HE1' ' A' ' 44' ' ' MET . 0.0 OUTLIER -60.21 -22.91 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.230000000000004 110.915 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -88.79 -37.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 72.019999999999996 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.3 m-85 -73.21 -41.03 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.099999999999994 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . . . -58.83 -19.49 41.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.82 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -24.53 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.937 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -81.51 -23.48 37.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.349999999999994 110.923 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -14.55 20.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -101.14 -1.71 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 110.83 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -41.17 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 62.109999999999999 110.922 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.2 m-20 50.02 38.71 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.864 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.56 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 111.129 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -86.03 -52.37 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.109999999999999 110.928 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE2' HD13 ' A' ' 12' ' ' LEU . 2.5 m-85 -58.89 -46.96 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 52.409999999999997 110.846 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -64.0 -22.94 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -23.73 26.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 65.340000000000003 110.883 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -92.89 -33.8 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.230000000000004 110.887 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -56.51 -27.46 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.839 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -20.92 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 71.120000000000005 110.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.88 -0.13 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 75.209999999999994 110.924 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -49.97 -42.43 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 62.240000000000002 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.19 -33.48 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 54.200000000000003 110.864 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -83.38 -17.44 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 110.932 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -55.36 -21.43 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.219999999999999 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -27.62 61.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.340000000000003 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -104.2 -11.64 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.18 -9.62 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.88 -21.99 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.907 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 108.57 1.02 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 75.409999999999997 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.29 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 72.519999999999996 112.335 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.62 -51.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -110.72 -28.93 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.409999999999997 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.09 -57.83 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 54.140000000000001 111.06 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p 50.85 32.51 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.349999999999994 111.171 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.26 163.5 27.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.887 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -93.43 166.98 14.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.691 0.758 . . . . 74.010000000000005 110.846 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.7 9.34 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 75.140000000000001 112.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 2' ' ' ALA . 1.3 pt-20 -56.01 -38.88 71.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.239999999999995 110.851 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.574 ' HE1' ' HA ' ' A' ' 6' ' ' GLU . 72.0 mmm -91.11 -22.32 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.872 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 11.1 mtmm -65.31 -35.5 81.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.892 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -34.86 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 62.039999999999999 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -72.85 -41.68 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.11 -24.08 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.897 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.18 -19.29 61.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 73.030000000000001 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.8 -22.74 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 63.509999999999998 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -49.46 10.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.200000000000003 110.864 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.41 -44.97 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 51.25 110.895 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -52.44 -32.05 37.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -34.1 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.540000000000006 110.844 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 60' ' ' ASP . 59.7 mt -55.48 -64.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 50.039999999999999 111.153 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -64.02 -16.09 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 74.109999999999999 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.865 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.79 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 110.844 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.425 ' H ' HG23 ' A' ' 59' ' ' THR . 6.0 p -54.54 -22.0 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 73.219999999999999 111.186 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.2 t70 -47.82 -48.99 30.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.430000000000007 110.892 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -68.94 -39.97 79.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 64.510000000000005 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.56 -44.62 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 110.847 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -53.34 -23.12 8.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.120000000000005 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -83.46 -30.33 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 62.229999999999997 110.894 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -52.05 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 64.109999999999999 110.892 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mmt -65.0 -13.22 57.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 44.039999999999999 110.908 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -53.08 -25.42 12.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 62.200000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.27 -34.94 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 51.130000000000003 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -102.78 -4.38 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.837 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -71.99 -8.47 54.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 75.219999999999999 110.866 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.81 -43.09 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 65.510000000000005 110.884 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -21.94 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 110.901 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -81.59 -49.78 10.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.219999999999999 110.875 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -23.47 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.129999999999995 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.13 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.040000000000006 111.098 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.01 -38.01 69.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -48.36 -37.86 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.450000000000003 110.859 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.51 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 63.32 111.101 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -87.9 -21.22 25.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.787 HD11 ' CD2' ' A' ' 8' ' ' PHE . 8.2 mt -56.47 -38.67 72.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.1 tt -68.35 -30.6 69.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.902 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -84.89 -29.93 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.010000000000005 110.909 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.733 ' HB3' HG21 ' A' ' 4' ' ' THR . 3.3 tt0 -50.75 -55.58 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.020000000000003 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 4' ' ' THR . 6.3 tm0? -78.99 -54.41 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.99 -59.91 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.510000000000005 110.925 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -61.37 -31.53 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 63.210000000000001 110.908 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -67.14 -11.78 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 64.510000000000005 111.106 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -49.64 -31.19 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 110.921 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' HD2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER 180.0 -60.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 52.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 89' ' ' PHE . 53.8 Cg_endo -69.8 -168.23 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.245 . . . . 73.319999999999993 112.368 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 -97.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 72.540000000000006 112.473 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 pttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 75.430000000000007 110.932 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 71.340000000000003 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.89 -18.49 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.450000000000003 111.108 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -55.36 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 64.129999999999995 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.707 HG22 ' CB ' ' A' ' 84' ' ' GLN . 30.6 p -47.7 -42.59 25.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.175 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -79.65 -34.19 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.019999999999996 110.9 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 3.4 tm-20 -68.34 -20.23 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.319999999999993 110.915 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.64 -38.74 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 52.149999999999999 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 80' ' ' LEU . 1.5 m-85 -80.24 -39.14 29.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.510000000000005 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -16.43 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 53.240000000000002 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.53 -34.31 20.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -89.71 -26.95 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 15' ' ' LEU . 3.7 mm? -82.79 -22.99 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.230000000000004 110.89 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -10.24 31.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.865 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.73 -1.56 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 110.891 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -118.51 -42.15 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.918 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 70.0 m-20 58.23 43.44 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 65.319999999999993 110.853 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -99.94 -64.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 64.099999999999994 111.114 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -88.17 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 70.319999999999993 110.877 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.32 -23.37 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.904 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -77.61 -35.64 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 42.219999999999999 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -84.84 -24.28 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -46.04 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 73.420000000000002 110.911 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.3 mmm -54.05 -30.29 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.520000000000003 110.879 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -20.43 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.549999999999997 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.36 -0.47 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.520000000000003 110.828 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -50.36 -44.47 54.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 70.530000000000001 110.904 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -55.52 -31.13 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.130000000000003 110.872 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.3 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.450000000000003 110.868 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -22.98 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -57.58 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.420000000000002 110.849 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -62.16 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.200000000000003 110.858 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.21 7.99 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.02 -20.85 26.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 55.420000000000002 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 156.41 1.27 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 73.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.81 24.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 44.509999999999998 112.329 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.35 29.45 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.817 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.28 -59.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 110.907 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -74.1 -62.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 60.43 111.11 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER 78.28 -34.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 70.219999999999999 111.136 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp 63.76 156.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.412 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.19 166.23 16.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.661 0.744 . . . . 64.329999999999998 110.841 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.14 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.638 2.225 . . . . 73.129999999999995 112.355 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 4.8 pt-20 -49.66 -36.52 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.340000000000003 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -23.15 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.049999999999997 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -77.64 -21.33 52.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -83.99 -34.26 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 63.5 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 6' ' ' GLU . 9.9 t-80 -84.04 -45.68 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 110.886 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -52.61 -23.48 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.230000000000004 110.928 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.43 -20.06 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 61.420000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -22.05 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 110.91 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -85.79 -31.79 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.887 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -28.2 55.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 73.120000000000005 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -22.05 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -21.51 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.329999999999998 110.866 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 20' ' ' ALA . 9.9 tt -87.76 -44.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.420000000000002 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 55' ' ' ILE . 8.4 mt-30 -73.93 -9.6 58.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.230000000000004 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -76.86 -43.38 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.030000000000001 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.38 54.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 110.874 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -85.91 -33.6 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 64.349999999999994 111.149 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -49.38 -34.57 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.129999999999995 110.905 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -85.74 -35.05 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -62.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 60.100000000000001 110.861 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -46.78 -34.92 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.310000000000002 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -61.6 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.349999999999994 110.907 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -48.64 10.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.843 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.721 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 24.3 mmt -65.78 -10.67 39.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 71.340000000000003 110.917 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -54.35 -23.69 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.519999999999996 110.914 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.94 -33.78 72.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.913 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -103.2 -14.44 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.420000000000002 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -56.93 -21.4 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.852 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.61 -50.63 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.120000000000005 110.88 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -84.12 -23.08 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 63.130000000000003 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.2 -47.57 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -53.56 -23.53 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.22 -31.08 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 64.140000000000001 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -49.84 -36.33 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 64.540000000000006 110.919 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -38.25 21.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 42.43 111.117 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -88.0 -21.61 24.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 63.420000000000002 110.908 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 4' ' ' THR . 13.2 tp -53.19 -52.05 60.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.919 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -33.94 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 70.310000000000002 110.934 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.27 -32.57 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 74.519999999999996 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.58 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.707 ' CB ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -65.43 -53.13 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.019999999999996 110.905 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -47.7 -33.69 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.891 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -68.1 -48.44 65.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 63.240000000000002 110.893 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.09 -57.64 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 54.130000000000003 111.131 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 58.8 22.38 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -144.5 71.59 15.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 61.149999999999999 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 159.74 52.31 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.728 2.285 . . . . 71.340000000000003 112.363 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -112.6 -39.91 1.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 61.520000000000003 112.487 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 pttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 70.430000000000007 110.906 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 74.439999999999998 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.61 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . -50.92 -24.6 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 64.450000000000003 111.114 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 72.25 111.204 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.74 -19.68 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 72.530000000000001 111.143 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.453 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 17.8 m-85 -77.61 -54.08 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.909 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.35 -19.93 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 73.219999999999999 110.914 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.89 -37.38 17.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -78.02 -39.54 41.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.450000000000003 110.852 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.26 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 43.219999999999999 111.075 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.21 -30.69 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.200000000000003 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -30.73 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 70.230000000000004 110.879 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.35 -24.65 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -14.06 19.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.409999999999997 110.87 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' C ' HD23 ' A' ' 15' ' ' LEU . 5.9 mtp85 -105.58 -1.4 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.520000000000003 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 14' ' ' ARG . 4.2 mt -111.95 -42.73 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.918 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 54.21 36.78 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.239999999999995 110.85 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.77 -63.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 41.32 111.133 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.09 -62.55 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.049999999999997 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -53.3 -24.52 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 73.019999999999996 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 111.119 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -23.4 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -77.58 -43.92 30.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 110.884 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.579 ' HB3' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -55.27 -34.85 64.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.510000000000005 110.854 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.2 -20.51 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 75.310000000000002 110.882 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.56 0.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.030000000000001 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -51.57 -37.18 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -58.16 -23.87 56.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.519999999999996 110.887 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.66 -15.15 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.399999999999999 110.917 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.24 -23.17 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.200000000000003 110.853 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -49.41 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.887 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -74.31 -24.62 59.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.120000000000005 110.877 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.37 10.35 29.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 111.104 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.67 -21.31 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 63.340000000000003 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.54 160.41 0.59 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 73.420000000000002 110.884 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 34' ' ' LYS . 53.6 Cg_endo -69.76 134.72 28.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 75.299999999999997 112.336 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.8 m-20 -122.73 32.35 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 73.109999999999999 110.85 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.4 tt0 77.78 -56.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.907 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.65 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 43.530000000000001 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m 76.73 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.409999999999997 111.164 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.71 HD22 ' N ' ' A' ' 41' ' ' SER . 2.1 tm? 63.39 131.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 60.350000000000001 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.71 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -95.76 165.47 16.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 61.32 110.831 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 12.8 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 72.530000000000001 112.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.61 ' OE1' ' HB2' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -53.88 -28.11 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.878 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 5' ' ' TYR . 3.3 mmt -87.9 -19.97 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 110.879 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -24.79 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.019999999999996 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.430000000000007 110.899 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.46 -44.8 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -51.97 -23.96 5.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.953 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.86 -21.58 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.519999999999996 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -88.42 -22.6 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 72.420000000000002 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -45.09 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.853 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -45.46 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 44.399999999999999 110.908 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -54.48 -27.72 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.929 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -24.02 22.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.87 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 23' ' ' MET . 45.8 mt -55.99 -61.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 111.136 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -71.36 -16.15 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 2.4 tt0 -65.92 -51.49 58.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.329999999999998 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER 167.45 38.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.019999999999996 110.865 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -85.5 -27.01 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 75.030000000000001 111.136 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.87 -31.58 68.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 71.200000000000003 110.828 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -84.25 -30.33 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 74.099999999999994 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -48.36 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.129999999999995 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -53.43 -22.43 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 62.149999999999999 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.34 58.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.340000000000003 110.898 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -44.82 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.420000000000002 110.92 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.609 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -72.99 -7.14 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.877 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -22.74 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.852 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -29.2 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 73.5 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -103.4 -21.43 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 65.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 57.9 p -54.57 -23.32 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.019999999999996 110.837 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.39 -55.08 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.340000000000003 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.08 -22.5 27.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.109999999999999 110.843 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -73.11 -51.76 16.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.885 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -51.53 -26.76 9.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.12 -30.88 22.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.146 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 80' ' ' LEU . 8.0 tptp -50.3 -37.34 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.230000000000004 110.861 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -37.34 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 75.129999999999995 110.877 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.95 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -88.08 -21.73 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.109999999999999 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -51.82 -42.76 62.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.936 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 63.030000000000001 110.967 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.82 -25.37 26.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 71.049999999999997 110.877 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -49.47 -56.7 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.921 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -82.7 -50.04 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.450000000000003 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.77 -61.64 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.109999999999999 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.3 -35.11 74.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 74.140000000000001 110.87 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -60.89 -45.88 92.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.439999999999998 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -63.41 -25.61 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.934 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.98 141.1 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 72.010000000000005 110.854 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 154.07 68.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 64.140000000000001 112.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.12 173.33 32.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 20.34 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 53.109999999999999 110.924 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 63.32 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.54 -22.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 61.210000000000001 111.142 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.21 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 64.219999999999999 111.15 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -89.87 -20.57 23.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 111.131 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.36 -53.29 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.439999999999998 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.47 -16.76 64.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.871 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.45 -43.2 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.509999999999998 110.859 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' C ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.24 -39.52 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 55.340000000000003 110.926 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 47' ' ' HIS . . . -62.59 -15.08 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 44.43 111.082 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.29 -32.93 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.010000000000005 111.145 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -88.55 -29.9 19.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 19' ' ' PHE . 1.8 mm? -65.97 -38.36 88.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 74.040000000000006 110.934 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -12.77 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 72.319999999999993 110.869 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -97.44 -1.57 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -110.76 -44.66 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 110.934 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 64.2 m-20 48.87 37.32 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 53.329999999999998 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.3 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.073 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 54.509999999999998 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.34 -19.71 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 65.040000000000006 110.856 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -70.01 -43.81 70.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 72.540000000000006 111.076 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.3 -20.83 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 54.219999999999999 110.951 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.95 -42.38 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.5 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.2 tpt -56.97 -31.76 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.853 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.409999999999997 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -0.51 53.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 70.450000000000003 110.861 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -33.3 75.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -29.38 14.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -83.36 -52.39 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -21.54 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.549999999999997 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -70.45 -48.36 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.5 110.907 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -53.8 -25.36 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.64 -21.47 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.68 5.91 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.109999999999999 110.864 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.78 157.26 1.06 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 72.030000000000001 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 75.120000000000005 112.366 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -124.16 -36.38 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.861 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.01 -31.83 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.869 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.99 -20.99 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 55.409999999999997 111.089 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t 37.29 43.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 71.349999999999994 111.179 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.72 177.15 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 51.340000000000003 110.95 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -94.04 166.51 15.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 71.129999999999995 110.876 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 10.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 72.510000000000005 112.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -51.3 -31.65 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 72.239999999999995 110.848 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -88.91 -25.81 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.854 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -20.64 40.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 62.109999999999999 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.26 -35.04 28.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 71.109999999999999 110.885 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.4 t-160 -84.16 -45.15 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.42 -23.57 16.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.926 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.18 -17.16 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.150000000000006 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -22.15 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 52.509999999999998 110.879 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -81.97 -32.72 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 72.230000000000004 110.901 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 55' ' ' ILE . 9.5 pt-20 -66.54 -31.35 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 55.100000000000001 110.929 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 73.430000000000007 110.948 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -22.09 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 61.329999999999998 110.918 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' GLN . 10.3 tt -82.6 -43.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 111.115 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' ILE . 44.9 mt-30 -80.98 -11.73 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 61.219999999999999 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -46.57 60.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.32 48.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.671 HG21 ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -86.36 -31.48 21.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.019999999999996 111.141 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.55 -33.89 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.872 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -86.0 -31.79 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 110.884 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.4 -59.49 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.230000000000004 110.873 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.41 -33.89 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.340000000000003 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -41.72 95.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.009999999999998 110.865 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -84.13 -47.59 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 43.43 110.933 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -64.88 -12.58 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.130000000000003 110.86 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -20.14 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.92 -32.11 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.150000000000006 110.882 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -102.9 7.53 39.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 63.100000000000001 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.0 p -58.85 -19.69 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 63.020000000000003 110.896 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -43.45 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 73.409999999999997 110.858 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.77 -21.33 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 75.239999999999995 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.766 ' CD1' HD13 ' A' ' 15' ' ' LEU . 19.6 m-85 -77.74 -52.23 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 110.922 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.19 -23.64 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 72.120000000000005 110.896 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.52 -31.61 24.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 64.329999999999998 111.129 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -26.92 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.97 84.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 64.319999999999993 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.4 -31.7 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 50.32 111.092 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -78.86 -20.94 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.893 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -46.42 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.43 -34.69 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 64.349999999999994 110.911 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -85.93 -32.54 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 61.119999999999997 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.53 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 74.319999999999993 110.898 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -53.03 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 71.340000000000003 110.907 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -48.53 -33.62 9.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 72.200000000000003 110.866 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -64.67 -43.75 92.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.87 -57.8 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 53.299999999999997 111.114 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 57.15 23.68 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.019999999999996 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.34 160.5 49.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 74.230000000000004 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 135.8 31.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 70.140000000000001 112.334 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.54 -179.04 46.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 44.219999999999999 112.471 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.8 pttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 65.5 110.902 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.769 0.318 . . . . 74.5 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.06 79.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 52.229999999999997 111.086 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -48.3 -46.03 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.040000000000006 111.129 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 HG22 ' CE2' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -44.55 -47.66 10.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 70.349999999999994 111.18 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 40' ' ' LEU . 25.0 m-85 -84.12 -40.12 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.75 -19.93 62.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 74.109999999999999 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -89.46 -40.76 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.420000000000002 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.797 ' CD1' HD22 ' A' ' 80' ' ' LEU . 10.5 m-30 -67.5 -43.74 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 73.109999999999999 110.872 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.16 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.439999999999998 111.112 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.8 -32.03 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.519999999999996 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 -16.36 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.873 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -97.62 -29.55 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 110.918 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.11 -18.42 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 110.86 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 mmt180 -96.2 -1.15 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.450000000000003 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 14' ' ' ARG . 2.3 mt -113.49 -43.18 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 16.7 m-20 47.19 34.41 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.851 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.32 -59.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 111.104 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.8 -60.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.420000000000002 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.86 -46.5 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 110.897 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 16' ' ' ASP . . . -58.52 -35.78 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 75.310000000000002 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -15.17 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 55.409999999999997 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.74 -29.13 16.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.869 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -30.14 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.450000000000003 110.902 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -81.22 -48.2 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.918 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -0.31 41.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.129999999999995 110.887 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -46.1 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 72.310000000000002 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.79 -38.53 48.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 63.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -83.84 -36.14 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.129999999999995 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -66.56 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 75.409999999999997 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -72.44 -12.56 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.855 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -123.5 -26.22 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.75 -40.41 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 72.230000000000004 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.73 6.55 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.420000000000002 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.4 ptmm? -48.87 107.62 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 73.5 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 39' ' ' THR . 53.1 Cg_endo -69.81 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 70.150000000000006 112.294 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.17 30.44 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' THR . 10.4 tt0 76.66 -54.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.21 86.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 54.219999999999999 111.124 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 37' ' ' GLU . 1.4 p 62.77 28.88 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 70.349999999999994 111.188 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD21 ' OH ' ' A' ' 5' ' ' TYR . 17.5 tp 65.03 167.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.030000000000001 110.898 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.47 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -81.1 168.41 25.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.714 0.769 . . . . 72.040000000000006 110.853 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.75 8.09 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 2.283 . . . . 64.120000000000005 112.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.01 -35.68 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 110.883 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -90.34 -22.56 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 54.340000000000003 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -72.21 -21.34 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.350000000000001 110.893 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -78.37 -31.63 48.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 62.329999999999998 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -85.23 -31.26 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 54.409999999999997 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 110.944 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -56.71 -22.14 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 63.450000000000003 110.859 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -23.27 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 110.877 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.11 -47.8 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.884 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -44.07 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -53.57 -35.34 60.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 65.140000000000001 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.95 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.040000000000006 110.845 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mm -62.31 -63.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 62.119999999999997 111.125 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -63.21 -16.41 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.400000000000006 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.79 -43.61 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 53.149999999999999 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 170.6 -32.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 75.299999999999997 110.884 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 p -55.73 -20.81 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 111.185 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.568 ' HB2' HG22 ' A' ' 55' ' ' ILE . 2.8 t70 -49.17 -45.66 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.89 -41.75 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.898 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.84 -44.1 86.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 5.9 t-20 -53.71 -23.19 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 52.530000000000001 110.861 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -31.43 29.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -84.66 -51.24 6.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 110.913 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.3 mmt -63.91 -14.57 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -27.72 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.891 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 -27.87 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -102.67 7.81 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.6 p -51.47 -25.17 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 34.039999999999999 110.878 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.26 -39.5 86.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.340000000000003 110.908 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -21.25 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 75.140000000000001 110.847 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -82.86 -50.77 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.875 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -22.75 46.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.400000000000006 110.913 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.21 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 111.067 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -50.19 -36.65 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.109999999999999 110.87 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.89 -38.01 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 63.520000000000003 110.911 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.43 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -88.99 -21.43 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 74.530000000000001 110.886 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.797 HD22 ' CD1' ' A' ' 8' ' ' PHE . 13.8 mt -55.02 -46.86 75.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 71.239999999999995 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -37.77 28.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 62.25 110.896 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -87.56 -26.74 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.915 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.77 -54.87 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 70.010000000000005 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -44.87 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 62.409999999999997 110.906 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -53.07 -45.56 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.881 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -51.96 -30.07 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 61.219999999999999 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.23 -58.95 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 61.310000000000002 111.097 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.19 24.64 8.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.420000000000002 110.948 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -132.58 69.36 79.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 71.140000000000001 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -171.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 61.219999999999999 112.317 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.66 -41.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 73.099999999999994 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 pttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 52.420000000000002 110.92 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.757 0.313 . . . . 73.11 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.56 -19.02 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.11 111.093 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.38 -54.87 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.16 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.497 HG22 ' CB ' ' A' ' 84' ' ' GLN . 71.0 p -46.05 -35.26 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 54.5 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -86.27 -36.34 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.953 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -19.61 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 63.42 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.36 -40.21 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 70.32 110.893 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 80' ' ' LEU . 1.6 m-85 -80.62 -37.72 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.11 110.89 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.84 61.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 74.32 111.125 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.37 -36.33 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.35 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -89.23 -27.1 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -71.9 -23.98 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 42.33 110.909 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -15.57 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 70.22 110.892 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -96.55 -1.68 46.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mt -112.22 -44.14 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 70.11 110.939 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 59' ' ' THR . 25.7 m-20 49.26 30.79 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 65.04 110.872 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -97.71 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.09 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -86.21 -60.28 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.892 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.01 -30.19 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.21 110.955 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.21 68.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.13 111.095 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -86.03 -16.88 36.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 71.14 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -82.19 -34.86 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.88 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.484 ' HB3' HD11 ' A' ' 55' ' ' ILE . 8.9 tpt -69.61 -35.59 75.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.3 110.848 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -20.8 59.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.43 110.877 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -81.19 -0.06 38.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.846 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.55 -36.52 55.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.34 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -24.42 56.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 53.51 110.887 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -75.72 -17.43 59.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.41 110.921 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -53.35 -22.41 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.61 -59.51 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.71 -27.21 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 72.34 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.17 9.85 30.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 43.45 111.098 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.46 -21.44 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.881 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 158.13 0.97 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 74.44 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.96 22.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 73.53 112.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.37 30.14 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 70.13 110.906 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 39' ' ' THR . 4.7 tt0 75.7 -59.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.889 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -41.87 52.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 71.24 111.136 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' GLU . 47.5 p 47.91 44.03 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.137 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.14 153.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.91 166.33 16.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.684 0.754 . . . . 62.21 110.878 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.1 Cg_endo -69.82 9.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 75.14 112.329 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 5.5 pt-20 -49.84 -35.66 23.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 60.3 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -23.22 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 70.41 110.852 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -21.47 60.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.06 -34.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.06 -46.48 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -54.25 -23.93 16.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.9 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -18.39 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.72 -21.33 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -46.15 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 61.22 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -45.02 61.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.11 110.922 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -24.84 16.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 73.2 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -30.93 23.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.904 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 23' ' ' MET . 62.2 mt -51.84 -62.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.115 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.78 -15.29 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.85 -38.24 54.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.05 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -46.51 -34.62 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.102 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.59 -40.07 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 70.31 110.86 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -84.23 -30.38 25.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -40.63 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.25 -21.02 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 72.53 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -37.97 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.887 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -43.9 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.876 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -74.48 -6.06 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.855 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -19.12 48.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 63.44 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.09 -30.68 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -102.91 1.19 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -62.89 -16.11 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 45.14 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -85.89 -21.44 28.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.13 110.837 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.758 ' CE1' HD13 ' A' ' 15' ' ' LEU . 21.9 m-85 -78.66 -47.78 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.877 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -54.85 -22.7 15.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.871 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.05 -29.82 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.096 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HD3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -50.04 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.93 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.97 -33.65 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.34 86.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 61.32 111.072 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -87.68 -20.61 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.885 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.445 ' C ' HD23 ' A' ' 80' ' ' LEU . 10.0 tt -50.5 -47.0 57.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -24.55 64.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 70.44 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.73 -22.59 27.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.892 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.453 HE22 ' NE2' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -48.71 -57.16 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.905 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 4' ' ' THR . 5.1 tp-100 -82.8 -47.85 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 70.23 110.91 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 65.23 110.896 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.573 ' H3 ' ' CG ' ' A' ' 84' ' ' GLN . 4.1 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 73.5 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 -18.39 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 33.03 111.088 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -53.75 -64.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.154 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -85.41 -21.7 28.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 54.1 111.13 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.4 -54.02 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -20.37 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 52.02 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -87.55 -36.91 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.47 ' HD2' HD12 ' A' ' 80' ' ' LEU . 3.9 m-85 -79.64 -38.27 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.916 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.67 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.76 -28.44 21.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.145 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -30.47 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 65.33 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.14 -28.93 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.906 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.46 37.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.884 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.49 -1.6 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.04 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 4.2 mt -111.01 -42.45 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 60.22 110.929 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 51.21 32.02 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB1' ' HB2' ' A' ' 70' ' ' SER . . . -98.82 -63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 65.5 111.121 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -86.61 -60.49 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.21 110.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -52.35 -27.13 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.831 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.58 -36.53 63.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -22.36 29.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -40.86 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 71.13 110.94 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -32.67 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.03 110.849 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -56.64 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.907 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -85.26 -0.59 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.85 -37.59 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 61.22 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -51.63 -32.69 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.58 -51.37 7.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -22.0 52.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 71.25 110.868 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.98 -41.32 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.849 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -62.04 -16.82 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.86 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 -24.35 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.02 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 1.55 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.859 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 160.9 0.65 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 74.21 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 76.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 70.01 112.361 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -124.42 -51.75 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 64.34 110.881 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -117.48 -24.75 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 73.33 110.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 -14.82 30.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t 38.01 42.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 72.01 111.168 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.34 156.87 17.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.878 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.21 166.93 15.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 65.01 110.874 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.74 8.73 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 73.03 112.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -50.9 -32.59 21.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.894 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ptm -88.56 -25.37 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 60.41 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -22.13 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.858 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -85.01 -33.37 22.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -82.82 -45.5 14.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 53.44 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -53.95 -24.42 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 52.54 110.914 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.7 -19.24 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -85.57 -22.33 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.62 -49.07 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.85 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -45.56 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -52.26 -29.26 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.07 -30.68 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.873 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.86 HD13 HG21 ' A' ' 59' ' ' THR . 28.7 mm -49.22 -60.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.121 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.03 -20.97 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -62.19 -50.85 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.87 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 168.21 29.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 72.44 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.86 HG21 HD13 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -87.18 -35.54 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 74.0 111.142 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.99 -30.71 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.887 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -83.38 -31.45 26.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -41.43 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 63.4 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.67 -26.18 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -33.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 75.05 110.92 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -84.01 -51.28 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.75 -10.13 54.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.29 -22.09 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.19 -33.98 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.31 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.45 7.08 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.875 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.664 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.75 -9.84 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.877 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -42.37 97.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -86.27 -21.54 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 20.0 m-85 -79.04 -51.36 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 61.02 110.902 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.96 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.905 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.44 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.081 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.69 -37.14 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.921 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -49.83 -36.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.45 110.826 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.3 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.42 111.099 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -87.3 -21.84 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 8' ' ' PHE . 7.4 tt -52.16 -42.45 63.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -26.93 68.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.885 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -83.83 -41.71 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.53 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -55.59 -25.09 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.92 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.573 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -51.12 -45.39 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 55.1 110.894 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.902 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 73.22 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -57.45 -18.56 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.24 111.1 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -64.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.126 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -90.73 -20.15 22.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 72.4 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.69 -54.92 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 18.9 tt0 -64.07 -20.52 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -87.4 -36.65 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 72.03 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.451 ' HD1' HD12 ' A' ' 80' ' ' LEU . 3.5 m-85 -78.99 -38.84 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 64.44 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.65 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 53.15 111.094 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.28 -30.51 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 53.42 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -87.71 -29.44 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.962 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.087 HD13 HD12 ' A' ' 15' ' ' LEU . 2.6 mm? -77.25 -24.21 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -15.54 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.903 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.7 -0.73 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.864 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.087 HD12 HD13 ' A' ' 12' ' ' LEU . 7.1 mt -108.08 -47.09 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.574 ' HB3' HG23 ' A' ' 59' ' ' THR . 16.3 m-20 50.93 26.26 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.856 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.29 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.52 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -58.64 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.45 110.922 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.07 -49.28 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.889 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -62.24 -27.5 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 63.03 111.115 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -23.68 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -39.61 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 71.12 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -59.86 -39.1 84.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.855 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.04 -21.11 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.2 0.75 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.809 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -35.04 36.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -57.5 -26.46 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 51.54 110.894 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -83.45 -16.33 46.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 52.34 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -51.4 -22.57 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 63.24 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -49.38 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.41 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -73.68 -25.18 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.853 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.19 10.2 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.12 111.093 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.78 -21.31 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.52 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 162.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 60.22 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 138.7 38.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 75.11 112.367 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.05 30.1 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.89 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER 75.91 -58.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 73.44 110.879 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.31 49.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p 48.42 33.95 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 71.12 111.156 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.7 168.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.907 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.22 166.93 15.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 74.34 110.885 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 9.54 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 72.53 112.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -26.8 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.32 110.836 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -31.32 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.886 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -68.91 -22.85 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 51.44 110.882 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.3 -33.98 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.33 110.849 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -83.75 -48.35 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.09 -24.0 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -20.02 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 63.43 110.866 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -22.37 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -47.48 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.864 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.62 62.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.896 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -53.3 -26.82 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -31.73 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.862 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.1 mt -51.87 -62.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 75.12 111.112 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.82 -15.31 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 54.23 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.34 -39.1 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 54.12 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 177.41 -32.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -45.86 -34.31 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.16 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.52 -36.87 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.847 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.69 -39.77 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.902 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -41.66 88.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.1 110.877 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.431 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 15.1 t-20 -52.65 -24.97 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.13 110.92 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -32.67 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -84.09 -52.14 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.95 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -12.36 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.23 110.906 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -24.47 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.842 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 52.23 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -102.93 7.64 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.1 p -62.25 -16.46 53.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.22 110.885 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.94 -41.55 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.869 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -21.41 28.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 15' ' ' LEU . 19.7 m-85 -79.97 -51.43 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.02 110.898 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -58.31 -22.77 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 71.43 110.888 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.67 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.072 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.41 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.929 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.19 -36.59 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 65.21 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.1 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.12 111.099 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -87.65 -22.39 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 55.13 110.883 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.2 tt -52.82 -42.21 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.77 -26.74 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.946 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -44.57 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 62.3 110.906 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -27.98 40.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.938 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -43.53 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 32.52 110.939 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.891 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.807 0.337 . . . . 62.34 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.8 -18.25 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 70.51 111.102 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -64.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.23 111.13 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -47.23 -40.03 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.4 111.166 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -69.18 -43.29 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 73.03 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.39 -20.84 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 71.24 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.38 -36.64 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 70.42 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.76 ' CD1' HD12 ' A' ' 80' ' ' LEU . 2.6 m-85 -81.65 -39.09 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.31 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -19.89 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 65.4 111.102 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.61 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 64.44 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -88.23 -29.81 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -83.28 -25.11 31.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 55.12 110.927 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -16.51 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.853 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -101.95 -0.9 33.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.836 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.6 mt -114.35 -43.41 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.6 m-20 50.51 35.0 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.89 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.41 -61.54 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 60.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -85.52 -61.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.72 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -50.01 -54.15 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 63.44 110.867 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -58.51 -22.47 55.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.088 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -85.36 -33.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.874 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -79.7 -35.7 38.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 55' ' ' ILE . 1.4 mpp? -55.7 -28.54 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.41 110.852 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -21.27 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 51.24 110.838 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.49 0.02 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -36.47 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -24.02 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 54.41 110.885 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -79.97 -17.48 52.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -22.61 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.825 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.4 -59.35 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 65.13 110.932 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.5 -27.28 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 9.87 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 42.42 111.063 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -56.6 -21.21 25.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.51 110.897 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.23 162.33 0.52 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 71.45 110.837 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.78 21.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 74.44 112.332 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.86 29.98 7.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.843 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.87 -58.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.99 -29.61 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.108 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t 39.43 40.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.14 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.89 157.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.947 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.93 166.35 16.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 75.21 110.838 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.73 8.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 74.15 112.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -50.13 -33.43 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.838 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.46 -26.28 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -21.28 59.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.917 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.72 -34.33 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -84.01 -46.27 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.842 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -53.5 -24.74 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 54.41 110.91 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -19.76 58.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -84.78 -22.46 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -48.23 11.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.02 63.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.28 -27.08 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 72.11 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -32.8 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 23' ' ' MET . 71.6 mt -53.9 -62.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.22 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.61 -15.61 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 74.4 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -78.67 -36.96 43.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 74.35 110.891 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.566 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.1 m -47.65 -32.98 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.128 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' HG22 ' A' ' 55' ' ' ILE . 18.1 t0 -49.75 -33.75 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.848 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.2 -41.84 16.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.01 110.903 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -40.26 88.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 62.52 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 7.0 t-20 -54.4 -22.47 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 52.24 110.908 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -28.36 22.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.926 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -52.72 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.876 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -65.82 -11.92 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.865 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -50.83 -26.6 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.891 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -40.16 89.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.875 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -93.26 7.98 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.42 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -9.09 42.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.877 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.25 -42.95 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.51 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -86.78 -22.6 25.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.844 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 15' ' ' LEU . 23.5 m-85 -80.99 -49.97 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.887 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -21.66 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.48 -28.68 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 73.44 111.056 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -48.92 -38.01 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 73.32 110.851 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -36.39 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.868 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.26 87.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 55.44 111.097 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -87.15 -21.07 26.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.76 HD12 ' CD1' ' A' ' 8' ' ' PHE . 9.2 tt -49.38 -49.57 44.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.928 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -31.75 14.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.78 -38.2 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -22.2 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.527 ' N ' HG23 ' A' ' 4' ' ' THR . 0.4 OUTLIER -47.91 -32.11 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.91 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 61.11 110.89 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.775 0.322 . . . . 70.24 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.15 -22.14 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 73.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -64.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.169 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.8 t -90.89 -20.58 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 64.45 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' OH ' HD13 ' A' ' 81' ' ' LEU . 21.5 m-30 -75.01 -51.72 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.913 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -19.84 66.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -87.32 -37.41 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 80' ' ' LEU . 3.6 m-85 -79.63 -38.99 32.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 71.23 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.43 111.118 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 -29.28 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 63.04 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -87.27 -31.15 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 19' ' ' PHE . 2.5 mm? -70.43 -25.51 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.893 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -11.02 39.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.892 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.484 ' C ' HD23 ' A' ' 15' ' ' LEU . 2.5 mtt180 -105.27 -2.13 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.85 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -113.39 -41.39 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.919 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 33.0 m-20 54.32 38.49 29.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.883 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -99.62 -65.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 60.1 111.114 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -88.8 -60.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.8 m-85 -54.87 -21.97 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.865 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB1' ' CG2' ' A' ' 59' ' ' THR . . . -71.2 -44.38 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 55.25 111.119 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -85.17 -14.52 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.844 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -37.71 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 73.01 110.927 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.6 tpp -61.93 -25.55 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.896 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -49.09 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 54.53 110.867 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.69 0.05 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 53.5 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -59.37 -30.41 68.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.12 110.91 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -57.03 -33.85 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -52.86 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -59.43 -20.44 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 73.21 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.78 -45.86 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.29 -21.07 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.12 -16.83 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 70.44 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.91 6.0 30.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 55.33 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.59 157.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 74.14 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.55 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 73.22 112.35 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.32 -49.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.82 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -116.55 -26.3 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.865 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -84.36 -22.43 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 54.51 111.104 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.3 t 35.97 66.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 70.13 111.129 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 40' ' ' LEU . 1.8 pt? -119.66 169.41 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.55 110.925 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.79 166.52 15.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.699 0.761 . . . . 35.31 110.842 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 9.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.673 2.248 . . . . 71.21 112.369 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.16 -33.5 19.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -25.73 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.829 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -70.71 -51.94 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.21 -42.32 75.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -62.49 -46.01 90.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.878 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.8 -23.98 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.66 -19.9 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.874 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -21.82 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.925 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.71 -43.74 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 65.51 110.921 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.16 -44.94 61.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -57.39 -29.26 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.469 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.7 -19.89 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.885 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -65.18 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 64.12 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -15.49 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.942 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -63.58 -47.95 79.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.875 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.23 42.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.858 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.673 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 2.9 m -86.02 -36.8 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.1 111.183 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.74 -30.74 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.872 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -29.83 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.2 110.909 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -57.74 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.894 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.42 -27.85 2.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 72.15 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -42.19 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -85.72 -48.37 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.918 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.815 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 1.1 tpt -63.84 -14.5 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.908 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -22.41 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 52.4 110.806 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.24 -34.53 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -102.98 -3.77 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.608 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 55.9 p -70.18 -10.3 58.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.3 110.826 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -42.32 89.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.35 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -85.76 -21.5 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 17.3 m-85 -77.58 -52.29 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -52.15 -27.69 15.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 60.2 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.18 -31.87 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 64.34 111.081 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -36.58 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 65.45 110.936 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -37.46 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.887 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.98 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.41 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -88.03 -22.33 24.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.857 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -51.6 -43.81 62.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.907 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -58.05 -31.89 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.932 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -85.66 -35.48 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -23.5 43.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 65.13 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -49.97 -30.98 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 65.22 110.906 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 73.22 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -56.05 -19.66 13.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 63.53 111.114 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -64.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 53.25 111.146 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -90.59 -20.49 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 75.2 111.171 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.41 -53.83 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.09 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.08 -36.95 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.32 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.09 -38.0 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.829 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -16.2 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.32 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 61.22 111.142 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -89.42 -29.27 19.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.918 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.839 HD23 HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.35 -25.13 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.917 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.64 -15.41 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.05 110.89 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -1.55 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 65.32 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HD23 ' A' ' 12' ' ' LEU . 65.5 mt -93.34 -49.27 6.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 65.31 110.92 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 4.8 m-20 61.76 16.26 7.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.41 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 70' ' ' SER . . . -98.4 -63.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -86.62 -58.74 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -49.83 -56.55 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.02 110.881 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -55.23 -25.02 30.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 50.22 111.084 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.9 -22.31 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 74.35 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -81.1 -39.85 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.91 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.634 ' HB2' HD11 ' A' ' 55' ' ' ILE . 21.2 mmt -55.74 -35.6 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.878 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -24.49 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -81.59 0.04 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -42.24 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.07 -35.6 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 62.2 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -83.95 -17.83 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 61.24 110.969 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -21.86 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.888 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.38 -55.59 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -57.65 -29.0 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 63.42 110.878 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.53 8.73 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 24.32 111.101 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.23 -21.71 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.864 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 mmmp? -49.85 108.47 1.0 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.509 0.671 . . . . 64.5 110.935 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.0 Cg_endo -69.74 98.54 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 70.42 112.344 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -125.19 -51.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.84 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 38' ' ' ALA . 1.2 pp20? -99.92 -34.61 10.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.889 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . . . -89.94 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.11 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 35' ' ' PRO . 5.1 p 51.77 28.81 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.45 111.119 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD11 ' HG2' ' A' ' 44' ' ' MET . 1.8 pt? -82.36 176.16 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.914 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -93.49 167.75 13.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 50.3 110.863 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.75 8.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 31.34 112.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -51.9 -30.02 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.866 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.482 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -84.59 -28.78 26.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 73.32 110.862 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -67.84 -22.99 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.14 110.906 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.67 -35.65 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.04 -48.86 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -55.45 -24.97 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.942 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.47 -17.29 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -85.46 -20.93 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.913 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.63 -40.58 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.41 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.31 -44.4 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.05 -25.6 22.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 52.55 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -32.77 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.21 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 23' ' ' MET . 77.4 mt -52.95 -63.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.138 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.36 -15.1 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.939 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.18 -36.93 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.893 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.1 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.98 -31.4 5.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.147 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' ILE . 7.1 t70 -51.87 -33.2 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.87 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -82.98 -39.57 21.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 1.3 t80 -65.67 -34.09 77.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.556 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 9.1 t-20 -67.5 -20.83 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 71.44 110.847 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.84 -36.14 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 62' ' ' PHE . 13.4 ptmt -84.38 -45.03 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 72.35 110.892 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 11.5 mmt -68.65 -11.46 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.883 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.11 -25.59 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.832 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -61.0 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.883 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -79.15 -10.76 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 1.5 p -69.67 -9.32 53.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 50.04 110.817 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.13 -43.16 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 53.42 110.846 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -86.42 -21.39 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.78 -22.84 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.06 -30.06 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.43 111.092 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -37.18 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 65.54 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -38.7 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.872 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.75 80.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 40.1 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -89.2 -23.63 22.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 12' ' ' LEU . 17.4 mt -54.55 -47.92 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.06 -17.78 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 70.43 110.896 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.49 -24.4 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 64.45 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -57.27 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.917 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -82.95 -49.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.859 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.787 0.327 . . . . 55.22 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -62.2 -17.95 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 43.24 111.13 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -62.84 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 65.52 111.151 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 84' ' ' GLN . 32.2 p -46.24 -45.64 17.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 54.52 111.161 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.13 -41.01 74.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 64.4 110.944 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.73 -19.69 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 73.01 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -87.58 -40.32 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 72.01 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CD1' HD22 ' A' ' 80' ' ' LEU . 2.9 m-85 -71.26 -42.88 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.898 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -63.08 -18.62 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.24 111.106 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.84 18.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.11 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -27.76 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 64.23 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -85.25 -24.09 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.907 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 -17.44 32.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 42.53 110.876 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -94.28 -1.07 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.13 110.861 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -118.16 -42.63 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.899 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 47.75 34.57 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.85 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.92 -61.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 64.23 111.085 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -87.08 -51.59 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 64.24 110.895 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -52.76 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -64.79 -22.46 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.078 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -85.81 -22.62 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -29.4 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 50.51 110.878 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.96 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.869 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.55 -40.36 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -80.83 -0.88 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.24 110.882 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.4 -24.61 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.846 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -63.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.937 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -21.85 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -79.0 -7.97 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.871 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -121.84 -20.91 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 75.31 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.71 -40.56 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.088 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.31 6.68 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 72.5 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.74 106.74 0.65 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.551 0.691 . . . . 74.4 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 73.03 112.317 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.0 m-20 -106.12 28.35 7.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.876 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 76.84 -57.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.865 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -95.67 -56.05 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.43 111.077 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 78.64 -5.13 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.123 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -178.19 -165.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.946 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.452 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -88.9 168.28 16.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 52.53 110.872 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.38 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 73.53 112.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 3.0 pt-20 -56.43 -36.11 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.835 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 40' ' ' LEU . 2.3 ptt? -89.56 -24.84 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.875 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -78.58 -21.32 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.43 110.931 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -84.54 -33.33 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 20.0 t-80 -84.2 -45.6 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.857 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.27 -25.17 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.13 -18.89 63.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 60.41 110.9 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -82.79 -22.42 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 65.2 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -44.59 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.36 -44.98 95.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.888 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -53.24 -24.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.25 -31.66 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 71.02 110.865 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 61.5 mt -51.56 -61.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.23 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.37 -14.9 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.861 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -38.26 47.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 73.42 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.91 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.03 -31.0 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.32 111.163 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.14 -34.47 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.897 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -83.89 -41.56 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.9 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.68 -58.33 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 30.6 t30 -52.34 -22.27 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.858 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.73 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -84.61 -41.95 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.85 -7.53 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 52.43 110.857 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.34 -26.23 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.65 -30.84 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.844 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.68 7.13 31.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 62.54 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 m -71.39 -8.76 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 64.21 110.855 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.4 -43.48 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.925 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -86.56 -22.99 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 72.41 110.853 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 15' ' ' LEU . 17.7 m-85 -80.33 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.89 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -23.54 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.12 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 42.13 111.089 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.07 -39.76 75.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.926 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.47 -38.38 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 61.25 110.845 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.37 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.24 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -89.47 -21.7 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.748 HD22 ' CD1' ' A' ' 8' ' ' PHE . 18.0 mt -56.73 -51.97 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 64.52 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -35.32 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.941 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.22 -29.28 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.904 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.653 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -48.83 -58.32 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.9 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.653 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.1 OUTLIER -78.29 -55.52 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 61.14 110.874 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.876 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.841 0.353 . . . . 73.32 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' TYR . . . -60.56 -17.34 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -65.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 54.12 111.177 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.451 HG21 ' C ' ' A' ' 83' ' ' GLN . 70.2 p -88.14 -21.29 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 71.41 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 2' ' ' ALA . 5.4 m-85 -72.82 -51.78 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 75.25 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.65 -20.28 66.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -88.2 -37.8 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.864 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.9 m-85 -76.18 -38.76 56.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.831 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.85 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . . . -89.29 -30.27 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 65.23 111.093 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -87.19 -29.75 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.944 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.682 HD13 HD12 ' A' ' 15' ' ' LEU . 3.3 mm? -68.51 -25.08 64.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -13.93 25.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' C ' HD23 ' A' ' 15' ' ' LEU . 17.3 mmt180 -100.17 -1.21 37.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 12' ' ' LEU . 3.5 mt -111.85 -42.75 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.885 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 50.2 m-20 51.77 34.49 13.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.905 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.8 -64.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.41 111.111 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.33 -61.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.9 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.14 -19.73 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 75.23 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -78.01 -40.76 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -85.42 -24.9 27.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.22 110.91 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.74 -41.29 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.886 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -35.57 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.9 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.13 -21.0 64.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 65.44 110.866 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.89 0.39 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 62.12 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.3 -34.48 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.17 -22.8 52.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -16.1 53.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.45 110.903 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -51.06 -22.99 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.85 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -57.9 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.937 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.43 -26.66 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 74.31 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 10.56 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -21.01 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -49.52 163.06 0.4 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 71.11 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 50.44 112.367 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.9 m-20 -122.76 30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER 76.22 -59.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.87 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.17 -39.51 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 64.45 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.0 p 49.11 40.74 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.158 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.78 153.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.893 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.21 167.4 14.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 50.25 110.865 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 10.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 72.55 112.367 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -26.76 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.15 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -88.07 -22.26 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 65.33 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.13 -24.56 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.06 -38.61 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 t60 -77.06 -45.27 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 73.43 110.844 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -52.75 -23.9 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 65.42 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.48 -19.61 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.01 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -22.62 25.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -36.11 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 55' ' ' ILE . 5.6 pt-20 -57.47 -27.42 62.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 70.33 110.868 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -77.13 -21.26 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -41.94 14.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 1.3 tt -57.86 -43.95 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 61.55 111.135 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -80.76 -15.67 55.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.942 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 1.4 mm-40 -77.42 -51.02 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.847 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER 165.39 36.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 65.25 110.869 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -84.99 -31.96 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.41 111.151 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -50.48 -31.22 14.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.861 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -38.81 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.35 -40.56 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.611 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.12 -26.73 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.893 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -79.16 -31.46 43.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -82.69 -52.37 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.865 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.96 -10.26 56.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 65.12 110.88 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -20.53 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.53 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.39 -39.32 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -102.84 2.99 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.747 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 65.8 p -72.46 -8.81 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.871 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.15 -21.49 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.97 -51.89 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.03 110.871 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.69 -23.52 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 62.34 110.946 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.54 -31.46 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 40.41 111.098 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HG3' HD12 ' A' ' 80' ' ' LEU . 3.7 tppt? -50.19 -38.3 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -36.73 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.881 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.85 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 65.35 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -88.11 -21.79 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.629 HD12 ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.75 -40.81 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.924 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.75 -31.04 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -85.99 -33.44 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.451 ' C ' HG21 ' A' ' 4' ' ' THR . 3.7 tt0 -74.34 -30.12 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -50.68 -30.9 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.22 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.886 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 75.24 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -57.85 -18.12 20.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 53.43 111.103 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.144 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.34 -21.41 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 51.45 111.096 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.73 ' OH ' HD13 ' A' ' 40' ' ' LEU . 7.5 m-85 -72.91 -51.68 17.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.906 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.25 -20.96 66.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -89.25 -37.4 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.863 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 80' ' ' LEU . 3.3 m-85 -78.47 -39.12 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -62.04 -19.67 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 71.35 111.094 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.73 -33.54 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 51.13 111.107 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -28.51 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.54 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 15' ' ' LEU . 4.2 mm? -76.72 -30.49 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 71.11 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.52 -16.7 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -97.36 -1.83 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.893 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 12' ' ' LEU . 13.2 mt -103.64 -45.89 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.21 110.909 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 59' ' ' THR . 88.9 m-20 58.89 20.85 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.895 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.38 -59.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.114 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -85.93 -49.75 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 54.35 110.877 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -51.67 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.886 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -51.36 -25.06 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 74.1 111.095 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -27.1 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.31 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -61.83 -48.45 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 62.15 110.897 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -25.65 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.89 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -83.84 -19.82 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.71 0.06 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 63.31 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.6 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 60.44 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.81 -36.14 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.891 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -83.47 -16.29 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.54 110.915 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -51.59 -22.29 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -76.89 -47.24 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 61.24 110.909 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -76.15 -25.1 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 44.21 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.2 10.3 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.3 111.091 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.63 -21.22 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.819 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.5 157.94 0.87 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 72.3 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.42 67.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 61.11 112.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -121.26 27.69 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.863 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.77 -58.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.895 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -32.23 16.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.21 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t 38.42 41.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 70.51 111.131 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -54.46 174.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 42.45 110.89 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -94.59 167.04 13.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 73.44 110.834 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.77 9.33 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 70.12 112.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -53.55 -25.91 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.901 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -79.35 -30.04 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.01 110.901 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -67.5 -23.76 65.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.933 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.91 -35.67 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 11.2 t-80 -80.61 -48.5 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.55 -24.21 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.13 110.955 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -19.82 54.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 53.45 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -21.96 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 73.1 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 55' ' ' ILE . 11.5 pt-20 -50.58 -42.49 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.855 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -52.99 -22.94 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -33.89 24.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 2.3 tt -59.71 -36.82 68.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.176 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.62 -15.59 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.24 -37.34 33.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.44 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 51.44 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.2 m -45.44 -31.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 73.13 111.11 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.13 -39.65 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 74.3 110.846 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -83.37 -31.91 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -37.0 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.883 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.85 -24.32 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -80.67 -32.53 36.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -52.64 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.943 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.616 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.21 -6.91 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.915 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -22.25 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.866 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.26 -38.17 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -103.42 6.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 83.8 p -70.67 -9.69 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.856 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.13 -41.15 95.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 71.11 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -86.33 -21.4 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CD2' HD13 ' A' ' 15' ' ' LEU . 22.6 m-85 -80.37 -50.39 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 72.2 110.867 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.69 -23.08 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.914 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.03 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.35 111.09 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -48.82 -43.98 38.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 44.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -47.93 -35.26 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.44 90.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 64.01 111.127 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.11 -21.7 36.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.7 tt -51.07 -40.53 58.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.901 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 45.24 110.907 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.92 -47.77 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.85 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -22.53 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -50.27 -30.38 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 64.35 110.961 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 61.32 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.94 -27.37 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 51.12 111.109 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -54.76 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 63.31 111.159 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.64 -41.19 41.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.166 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -41.43 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.898 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -65.34 -21.39 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 65.43 110.853 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.89 -41.1 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CD2' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.21 -45.57 87.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 52.54 110.906 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.21 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 52.34 111.085 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -32.35 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.12 111.091 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' CG ' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -87.2 -15.3 38.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 52.05 110.882 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 19' ' ' PHE . 43.5 mt -97.16 -38.82 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.33 110.936 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.99 -17.07 35.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 64.53 110.869 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -93.25 -0.93 56.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.846 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -112.82 -52.26 2.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 61.32 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' THR . 7.9 m-20 46.46 28.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.23 110.848 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -100.75 -63.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.44 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -86.39 -61.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.888 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -53.87 -24.69 16.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.846 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 63' ' ' ASN . . . -68.36 -41.01 81.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.02 111.077 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -85.64 -27.25 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 70.45 110.913 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -78.02 -40.27 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.889 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 tpt -55.24 -35.33 64.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 55.02 110.844 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.43 -20.85 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 61.43 110.942 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.22 0.18 33.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 54.01 110.91 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.45 -28.62 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 72.1 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -57.85 -20.9 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -78.27 -16.41 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -22.47 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -78.28 -53.03 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 64.52 110.857 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -66.56 -27.42 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.86 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 10.56 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.135 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -56.02 -21.57 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.3 110.89 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 156.48 1.64 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 74.43 110.882 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 92.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 74.02 112.317 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 13.9 m-20 -124.85 27.93 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.835 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.5 tt0 80.74 -34.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.74 -2.14 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 p -77.26 49.53 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.46 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.943 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -91.51 165.89 19.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 74.01 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.8 7.97 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.685 2.257 . . . . 75.33 112.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 44' ' ' MET . 6.6 pt-20 -49.18 -42.75 40.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.411 ' N ' ' CG ' ' A' ' 43' ' ' GLU . 4.6 mtt -93.24 -19.29 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.52 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -64.55 -20.27 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -84.27 -35.56 23.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.924 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -35.72 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 61.32 110.84 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -54.48 -25.17 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.43 -18.78 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -83.28 -21.69 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -79.26 -51.77 9.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.889 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -55.4 -24.49 30.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 54.31 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 mtm -87.2 -30.88 20.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 64.23 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.2 mt -51.66 -62.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.33 111.153 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -38.39 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.75 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.32 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -47.59 -34.03 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 64.54 111.193 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.04 -36.65 70.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.863 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -83.21 -28.48 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -74.74 -34.54 62.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.908 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -54.85 -22.23 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.89 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -87.09 -28.46 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 53.42 110.871 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.41 -52.55 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.878 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -68.89 -8.19 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 60.54 110.879 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.22 -21.28 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.87 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -35.38 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -103.02 7.14 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 70.1 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 82.9 p -69.37 -10.74 59.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 61.32 110.841 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -37.68 58.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 65.22 110.847 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.9 -21.54 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.739 ' CD1' HD13 ' A' ' 15' ' ' LEU . 14.0 m-85 -75.24 -53.02 9.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -27.56 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.89 -42.44 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.43 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -56.05 -34.18 65.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.917 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -47.06 -40.76 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.62 80.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.01 111.109 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -86.6 -22.82 26.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 11' ' ' LYS . 1.4 mm? -59.13 -50.52 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 70.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.34 -30.68 71.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 61.53 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -80.18 -25.26 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.25 -54.67 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.01 110.959 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -47.66 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.88 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.902 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.21 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -83.36 -21.01 33.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -51.56 -41.32 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.52 111.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -51.66 -21.66 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 73.24 111.154 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -87.31 -43.35 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.892 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' HE1' ' A' ' 44' ' ' MET . 0.0 OUTLIER -60.21 -22.91 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.915 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -88.79 -37.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.3 m-85 -73.21 -41.03 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.1 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . . . -58.83 -19.49 41.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.12 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.82 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -24.53 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.42 110.937 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -81.51 -23.48 37.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.35 110.923 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -14.55 20.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -101.14 -1.71 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.83 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -41.17 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 62.11 110.922 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.2 m-20 50.02 38.71 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.864 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.56 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.03 111.129 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -86.03 -52.37 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE2' HD13 ' A' ' 12' ' ' LEU . 2.5 m-85 -58.89 -46.96 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 52.41 110.846 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -64.0 -22.94 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -23.73 26.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 65.34 110.883 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -92.89 -33.8 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.887 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -56.51 -27.46 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.51 110.839 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -20.92 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.88 -0.13 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.924 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -49.97 -42.43 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.19 -33.48 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 54.2 110.864 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -83.38 -17.44 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 72.02 110.932 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -55.36 -21.43 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.22 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -27.62 61.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -104.2 -11.64 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.18 -9.62 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.88 -21.99 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.907 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 108.57 1.02 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 75.41 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.29 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 72.52 112.335 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.62 -51.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -110.72 -28.93 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.09 -57.83 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 54.14 111.06 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p 50.85 32.51 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.171 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.26 163.5 27.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.887 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -93.43 166.98 14.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.691 0.758 . . . . 74.01 110.846 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.7 9.34 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 75.14 112.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 2' ' ' ALA . 1.3 pt-20 -56.01 -38.88 71.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.851 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.574 ' HE1' ' HA ' ' A' ' 6' ' ' GLU . 72.0 mmm -91.11 -22.32 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.872 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 11.1 mtmm -65.31 -35.5 81.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.892 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -34.86 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 62.04 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -72.85 -41.68 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.11 -24.08 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.897 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.18 -19.29 61.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 73.03 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.8 -22.74 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 63.51 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -49.46 10.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.864 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.41 -44.97 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 51.25 110.895 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -52.44 -32.05 37.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -34.1 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.844 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 60' ' ' ASP . 59.7 mt -55.48 -64.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 50.04 111.153 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -64.02 -16.09 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.865 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.79 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.425 ' H ' HG23 ' A' ' 59' ' ' THR . 6.0 p -54.54 -22.0 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.186 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.2 t70 -47.82 -48.99 30.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.43 110.892 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -68.94 -39.97 79.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.56 -44.62 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.847 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -53.34 -23.12 8.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -83.46 -30.33 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 62.23 110.894 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -52.05 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.892 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mmt -65.0 -13.22 57.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 44.04 110.908 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -53.08 -25.42 12.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.885 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.27 -34.94 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 51.13 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -102.78 -4.38 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.837 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -71.99 -8.47 54.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.866 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.81 -43.09 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 65.51 110.884 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -21.94 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.901 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -81.59 -49.78 10.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -23.47 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.13 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.04 111.098 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.01 -38.01 69.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -48.36 -37.86 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.45 110.859 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.51 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 63.32 111.101 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -87.9 -21.22 25.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.787 HD11 ' CD2' ' A' ' 8' ' ' PHE . 8.2 mt -56.47 -38.67 72.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 81' ' ' LEU . 3.1 tt -68.35 -30.6 69.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.902 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -84.89 -29.93 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.909 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.733 ' HB3' HG21 ' A' ' 4' ' ' THR . 3.3 tt0 -50.75 -55.58 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.02 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 4' ' ' THR . 0.9 OUTLIER -78.99 -54.41 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.896 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.51 110.925 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 71.34 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.89 -18.49 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.108 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -55.36 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 64.13 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.707 HG22 ' CB ' ' A' ' 84' ' ' GLN . 30.6 p -47.7 -42.59 25.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.175 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -79.65 -34.19 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.9 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.34 -20.23 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.64 -38.74 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 52.15 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 80' ' ' LEU . 1.5 m-85 -80.24 -39.14 29.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -16.43 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 53.24 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.53 -34.31 20.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -89.71 -26.95 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 15' ' ' LEU . 3.7 mm? -82.79 -22.99 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.23 110.89 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -10.24 31.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.865 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.479 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.73 -1.56 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.891 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -118.51 -42.15 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.918 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 70.0 m-20 58.23 43.44 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 65.32 110.853 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -99.94 -64.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 64.1 111.114 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -88.17 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 70.32 110.877 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.32 -23.37 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.904 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -77.61 -35.64 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 42.22 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -84.84 -24.28 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -46.04 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 73.42 110.911 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.3 mmm -54.05 -30.29 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.52 110.879 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -20.43 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.55 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.36 -0.47 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.52 110.828 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -50.36 -44.47 54.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 70.53 110.904 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -55.52 -31.13 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.13 110.872 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.3 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.868 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -22.98 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -57.58 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.849 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -62.16 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.2 110.858 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.21 7.99 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.02 -20.85 26.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 55.42 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 156.41 1.27 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 73.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.81 24.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 44.51 112.329 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.35 29.45 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.817 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.28 -59.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.907 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -74.1 -62.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 60.43 111.11 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER 78.28 -34.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 70.22 111.136 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp 63.76 156.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.412 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.19 166.23 16.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.661 0.744 . . . . 64.33 110.841 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.14 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.638 2.225 . . . . 73.13 112.355 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 4.8 pt-20 -49.66 -36.52 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -23.15 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.05 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -77.64 -21.33 52.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -83.99 -34.26 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 63.5 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -84.04 -45.68 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -52.61 -23.48 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.928 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.43 -20.06 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -22.05 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.91 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -85.79 -31.79 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.887 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -28.2 55.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -22.05 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -21.51 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.866 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 20' ' ' ALA . 9.9 tt -87.76 -44.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.42 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 55' ' ' ILE . 8.4 mt-30 -73.93 -9.6 58.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.23 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -76.86 -43.38 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.38 54.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.874 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -85.91 -33.6 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 64.35 111.149 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -49.38 -34.57 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.905 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -85.74 -35.05 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -62.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 60.1 110.861 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -46.78 -34.92 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -61.6 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.907 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -48.64 10.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.843 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.721 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 24.3 mmt -65.78 -10.67 39.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 71.34 110.917 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -54.35 -23.69 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.914 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.94 -33.78 72.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.913 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -103.2 -14.44 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -56.93 -21.4 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.852 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.61 -50.63 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -84.12 -23.08 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.2 -47.57 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -53.56 -23.53 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.22 -31.08 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 64.14 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -49.84 -36.33 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 64.54 110.919 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -38.25 21.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 42.43 111.117 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -88.0 -21.61 24.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 63.42 110.908 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 4' ' ' THR . 13.2 tp -53.19 -52.05 60.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.919 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -33.94 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 70.31 110.934 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.27 -32.57 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.58 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.707 ' CB ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -65.43 -53.13 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.02 110.905 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.891 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 74.44 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.61 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . -50.92 -24.6 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 64.45 111.114 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 72.25 111.204 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.74 -19.68 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 72.53 111.143 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.453 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 17.8 m-85 -77.61 -54.08 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.909 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.35 -19.93 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.914 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.89 -37.38 17.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -78.02 -39.54 41.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.45 110.852 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.26 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 43.22 111.075 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.21 -30.69 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.2 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -30.73 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 70.23 110.879 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.35 -24.65 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -14.06 19.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.41 110.87 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.481 ' C ' HD23 ' A' ' 15' ' ' LEU . 5.9 mtp85 -105.58 -1.4 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.52 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 14' ' ' ARG . 4.2 mt -111.95 -42.73 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.918 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 54.21 36.78 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.85 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.77 -63.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 41.32 111.133 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.09 -62.55 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.05 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -53.3 -24.52 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 73.02 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.119 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -23.4 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -77.58 -43.92 30.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.884 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.579 ' HB3' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -55.27 -34.85 64.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.51 110.854 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.2 -20.51 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.882 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.56 0.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.03 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -51.57 -37.18 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -58.16 -23.87 56.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.887 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.66 -15.15 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.4 110.917 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.24 -23.17 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.853 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -49.41 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.887 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -74.31 -24.62 59.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.877 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.37 10.35 29.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.104 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.67 -21.31 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.54 160.41 0.59 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 73.42 110.884 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 34' ' ' LYS . 53.6 Cg_endo -69.76 134.72 28.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 75.3 112.336 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.8 m-20 -122.73 32.35 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.85 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.4 tt0 77.78 -56.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.907 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.65 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 43.53 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m 76.73 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.164 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.71 HD22 ' N ' ' A' ' 41' ' ' SER . 2.1 tm? 63.39 131.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 60.35 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.71 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -95.76 165.47 16.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 61.32 110.831 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 12.8 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 72.53 112.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.61 ' OE1' ' HB2' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -53.88 -28.11 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.878 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 5' ' ' TYR . 3.3 mmt -87.9 -19.97 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.879 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -24.79 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.46 -44.8 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -51.97 -23.96 5.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.953 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.86 -21.58 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.52 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -88.42 -22.6 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -45.09 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.853 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -45.46 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 44.4 110.908 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -54.48 -27.72 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.929 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -24.02 22.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.87 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 23' ' ' MET . 45.8 mt -55.99 -61.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.136 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -71.36 -16.15 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 2.4 tt0 -65.92 -51.49 58.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER 167.45 38.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.02 110.865 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -85.5 -27.01 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 75.03 111.136 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.87 -31.58 68.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.828 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -84.25 -30.33 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -48.36 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -53.43 -22.43 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 62.15 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.34 58.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.898 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -44.82 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.92 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.609 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -72.99 -7.14 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.877 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -22.74 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.852 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -29.2 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 73.5 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -103.4 -21.43 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 65.42 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 57.9 p -54.57 -23.32 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.02 110.837 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.39 -55.08 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.34 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.08 -22.5 27.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.843 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -73.11 -51.76 16.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.885 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -51.53 -26.76 9.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.12 -30.88 22.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.146 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 80' ' ' LEU . 8.0 tptp -50.3 -37.34 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.861 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -37.34 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.877 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.95 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -88.08 -21.73 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -51.82 -42.76 62.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.936 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 63.03 110.967 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.82 -25.37 26.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 71.05 110.877 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -56.7 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.921 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.7 -50.04 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.884 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 63.32 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.54 -22.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 61.21 111.142 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.21 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 64.22 111.15 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -89.87 -20.57 23.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 74.11 111.131 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.36 -53.29 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.47 -16.76 64.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.871 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.45 -43.2 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.51 110.859 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' C ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.24 -39.52 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 55.34 110.926 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 47' ' ' HIS . . . -62.59 -15.08 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 44.43 111.082 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.29 -32.93 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.01 111.145 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -88.55 -29.9 19.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 19' ' ' PHE . 1.8 mm? -65.97 -38.36 88.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.934 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -12.77 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 72.32 110.869 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -97.44 -1.57 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.766 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -110.76 -44.66 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.934 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 64.2 m-20 48.87 37.32 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 53.33 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.3 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.073 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 54.51 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.34 -19.71 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 65.04 110.856 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -70.01 -43.81 70.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 72.54 111.076 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.3 -20.83 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 54.22 110.951 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.95 -42.38 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.5 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.2 tpt -56.97 -31.76 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.853 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -0.51 53.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 70.45 110.861 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -33.3 75.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -29.38 14.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -83.36 -52.39 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -21.54 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -70.45 -48.36 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.5 110.907 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -53.8 -25.36 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.64 -21.47 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.68 5.91 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.864 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.78 157.26 1.06 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 72.03 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 75.12 112.366 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -124.16 -36.38 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.861 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.01 -31.83 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.869 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.99 -20.99 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 55.41 111.089 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t 37.29 43.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.179 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.72 177.15 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 51.34 110.95 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -94.04 166.51 15.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 71.13 110.876 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 10.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 72.51 112.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -51.3 -31.65 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 72.24 110.848 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -88.91 -25.81 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.854 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -20.64 40.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 62.11 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.26 -35.04 28.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 71.11 110.885 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.4 t-160 -84.16 -45.15 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.42 -23.57 16.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.926 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.18 -17.16 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.15 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -22.15 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 52.51 110.879 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -81.97 -32.72 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.901 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 55' ' ' ILE . 9.5 pt-20 -66.54 -31.35 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 55.1 110.929 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.948 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -22.09 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 61.33 110.918 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' GLN . 10.3 tt -82.6 -43.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.115 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' ILE . 44.9 mt-30 -80.98 -11.73 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 61.22 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -46.57 60.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.32 48.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.671 HG21 ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -86.36 -31.48 21.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.02 111.141 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.55 -33.89 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.872 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -86.0 -31.79 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.53 110.884 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.4 -59.49 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.873 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.41 -33.89 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.34 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -41.72 95.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.01 110.865 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -84.13 -47.59 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 43.43 110.933 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -64.88 -12.58 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.13 110.86 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -20.14 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.92 -32.11 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.15 110.882 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -102.9 7.53 39.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 63.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.0 p -58.85 -19.69 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 63.02 110.896 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -43.45 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 73.41 110.858 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.77 -21.33 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.766 ' CD1' HD13 ' A' ' 15' ' ' LEU . 19.6 m-85 -77.74 -52.23 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.922 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.19 -23.64 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.896 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.52 -31.61 24.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 64.33 111.129 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -26.92 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.97 84.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.4 -31.7 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 50.32 111.092 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -78.86 -20.94 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -46.42 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.43 -34.69 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 64.35 110.911 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -85.93 -32.54 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.454 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -53.53 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.898 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.2 OUTLIER -66.28 -53.03 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 71.34 110.907 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 72.2 110.866 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.769 0.318 . . . . 74.5 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.06 79.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 52.23 111.086 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -48.3 -46.03 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.04 111.129 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.486 HG23 ' NE2' ' A' ' 84' ' ' GLN . 0.7 OUTLIER -44.55 -47.66 10.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 70.35 111.18 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 40' ' ' LEU . 25.0 m-85 -84.12 -40.12 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.14 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.75 -19.93 62.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -89.46 -40.76 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.42 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.797 ' CD1' HD22 ' A' ' 80' ' ' LEU . 10.5 m-30 -67.5 -43.74 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.872 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.16 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.112 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.8 -32.03 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.52 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 -16.36 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.873 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -97.62 -29.55 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.918 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.11 -18.42 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.86 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 mmt180 -96.2 -1.15 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 14' ' ' ARG . 2.3 mt -113.49 -43.18 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 16.7 m-20 47.19 34.41 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.851 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.32 -59.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.104 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.8 -60.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.86 -46.5 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.897 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 16' ' ' ASP . . . -58.52 -35.78 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 75.31 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -15.17 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 55.41 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.74 -29.13 16.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.869 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -30.14 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.45 110.902 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -81.22 -48.2 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.918 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -0.31 41.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.13 110.887 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -46.1 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.79 -38.53 48.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 63.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -83.84 -36.14 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -66.56 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -72.44 -12.56 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.855 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -123.5 -26.22 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.75 -40.41 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 72.23 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.73 6.55 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.42 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.4 ptmm? -48.87 107.62 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 73.5 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 39' ' ' THR . 53.1 Cg_endo -69.81 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 70.15 112.294 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.17 30.44 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' THR . 10.4 tt0 76.66 -54.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.21 86.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 54.22 111.124 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 37' ' ' GLU . 1.4 p 62.77 28.88 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 70.35 111.188 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD21 ' OH ' ' A' ' 5' ' ' TYR . 17.5 tp 65.03 167.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.03 110.898 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.47 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -81.1 168.41 25.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.714 0.769 . . . . 72.04 110.853 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.75 8.09 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 2.283 . . . . 64.12 112.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.01 -35.68 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.883 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -90.34 -22.56 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 54.34 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -72.21 -21.34 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.35 110.893 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -78.37 -31.63 48.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 62.33 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -85.23 -31.26 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 54.41 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.944 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -56.71 -22.14 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 63.45 110.859 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -23.27 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.877 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.11 -47.8 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.884 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -44.07 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -53.57 -35.34 60.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.95 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.845 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mm -62.31 -63.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 62.12 111.125 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -63.21 -16.41 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.79 -43.61 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 53.15 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.6 -32.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 75.3 110.884 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 p -55.73 -20.81 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.185 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.568 ' HB2' HG22 ' A' ' 55' ' ' ILE . 2.8 t70 -49.17 -45.66 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.31 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.89 -41.75 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.898 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.84 -44.1 86.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 5.9 t-20 -53.71 -23.19 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 52.53 110.861 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -31.43 29.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -84.66 -51.24 6.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.913 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.3 mmt -63.91 -14.57 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -27.72 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.891 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 -27.87 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -102.67 7.81 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.6 p -51.47 -25.17 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 34.04 110.878 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.26 -39.5 86.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.34 110.908 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -21.25 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.847 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -82.86 -50.77 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.875 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -22.75 46.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.913 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.21 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.067 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -50.19 -36.65 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.87 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.89 -38.01 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 63.52 110.911 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.43 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -88.99 -21.43 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 74.53 110.886 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.797 HD22 ' CD1' ' A' ' 8' ' ' PHE . 13.8 mt -55.02 -46.86 75.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -37.77 28.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 62.25 110.896 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -87.56 -26.74 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.915 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.667 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -52.77 -54.87 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 70.01 110.958 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.667 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -44.87 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 62.41 110.906 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.881 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.757 0.313 . . . . 73.11 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.56 -19.02 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.11 111.093 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.38 -54.87 10.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.16 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.497 HG22 ' CB ' ' A' ' 84' ' ' GLN . 71.0 p -46.05 -35.26 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 54.5 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -86.27 -36.34 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.953 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -19.61 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 63.42 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.36 -40.21 14.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 70.32 110.893 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 80' ' ' LEU . 1.6 m-85 -80.62 -37.72 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 70.11 110.89 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.84 61.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 74.32 111.125 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.37 -36.33 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.35 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -89.23 -27.1 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -71.9 -23.98 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 42.33 110.909 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -15.57 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 70.22 110.892 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -96.55 -1.68 46.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mt -112.22 -44.14 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 70.11 110.939 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 59' ' ' THR . 25.7 m-20 49.26 30.79 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 65.04 110.872 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -97.71 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.09 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -86.21 -60.28 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.892 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.01 -30.19 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.21 110.955 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.21 68.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.13 111.095 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -86.03 -16.88 36.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 71.14 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -82.19 -34.86 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.88 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.484 ' HB3' HD11 ' A' ' 55' ' ' ILE . 8.9 tpt -69.61 -35.59 75.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.3 110.848 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -20.8 59.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.43 110.877 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -81.19 -0.06 38.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.846 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.55 -36.52 55.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.34 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -24.42 56.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 53.51 110.887 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -75.72 -17.43 59.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.41 110.921 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -53.35 -22.41 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.61 -59.51 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.71 -27.21 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 72.34 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.17 9.85 30.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 43.45 111.098 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.46 -21.44 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.881 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 158.13 0.97 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 74.44 110.884 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.96 22.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 73.53 112.349 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.37 30.14 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 70.13 110.906 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 39' ' ' THR . 4.7 tt0 75.7 -59.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.889 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -41.87 52.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 71.24 111.136 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' GLU . 47.5 p 47.91 44.03 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.137 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.14 153.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.91 166.33 16.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.684 0.754 . . . . 62.21 110.878 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.1 Cg_endo -69.82 9.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 75.14 112.329 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 5.5 pt-20 -49.84 -35.66 23.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 60.3 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -23.22 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 70.41 110.852 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -21.47 60.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.06 -34.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.856 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -84.06 -46.48 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -54.25 -23.93 16.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.9 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -18.39 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.72 -21.33 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -46.15 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 61.22 110.857 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -45.02 61.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.11 110.922 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -24.84 16.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 73.2 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -30.93 23.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.904 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 23' ' ' MET . 62.2 mt -51.84 -62.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.115 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.78 -15.29 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.85 -38.24 54.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.05 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -46.51 -34.62 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.14 111.102 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.59 -40.07 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 70.31 110.86 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -84.23 -30.38 25.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.888 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -40.63 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.25 -21.02 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 72.53 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -37.97 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.887 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -43.9 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.876 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -74.48 -6.06 46.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.855 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -19.12 48.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 63.44 110.868 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.09 -30.68 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -102.91 1.19 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -62.89 -16.11 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 45.14 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -85.89 -21.44 28.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.13 110.837 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.758 ' CE1' HD13 ' A' ' 15' ' ' LEU . 21.9 m-85 -78.66 -47.78 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.877 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -54.85 -22.7 15.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.871 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.05 -29.82 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.096 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HD3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -50.04 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.93 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.97 -33.65 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.34 86.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 61.32 111.072 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -87.68 -20.61 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.885 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' C ' HD23 ' A' ' 80' ' ' LEU . 10.0 tt -50.5 -47.0 57.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -24.55 64.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 70.44 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.73 -22.59 27.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.892 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.453 HE22 ' NE2' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -48.71 -57.16 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.905 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 4' ' ' THR . 5.1 tp-100 -82.8 -47.85 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 70.23 110.91 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -47.99 -33.43 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 65.23 110.896 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -92.77 -33.0 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.888 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.4 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -112.59 32.32 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 60.01 110.892 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -169.5 70.32 0.67 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 72.44 110.845 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 110.78 2.63 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.265 . . . . 70.54 112.361 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.92 -71.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 62.31 112.475 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 74.12 110.935 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' H3 ' ' CG ' ' A' ' 84' ' ' GLN . 4.1 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.765 0.317 . . . . 73.5 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.23 -18.39 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 33.03 111.088 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.479 ' HB ' ' HB3' ' A' ' 87' ' ' ALA . 1.1 p -53.75 -64.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.154 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -85.41 -21.7 28.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 54.1 111.13 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.4 -54.02 8.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.28 -20.37 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 52.02 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -87.55 -36.91 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.47 ' HD2' HD12 ' A' ' 80' ' ' LEU . 3.9 m-85 -79.64 -38.27 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.916 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.67 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.097 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.76 -28.44 21.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.145 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -30.47 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 65.33 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.14 -28.93 48.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.906 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.46 37.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.884 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.49 -1.6 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.04 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 4.2 mt -111.01 -42.45 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 60.22 110.929 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 51.21 32.02 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.886 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB1' ' HB2' ' A' ' 70' ' ' SER . . . -98.82 -63.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 65.5 111.121 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -86.61 -60.49 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.21 110.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -52.35 -27.13 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.3 110.831 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.58 -36.53 63.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -22.36 29.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -40.86 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 71.13 110.94 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -32.67 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.03 110.849 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -56.64 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.907 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -85.26 -0.59 55.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.85 -37.59 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 61.22 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -51.63 -32.69 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.58 -51.37 7.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -22.0 52.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 71.25 110.868 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.98 -41.32 91.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.849 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -62.04 -16.82 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.86 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 -24.35 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.02 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 1.55 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.859 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 160.9 0.65 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 74.21 110.902 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 76.99 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 70.01 112.361 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -124.42 -51.75 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 64.34 110.881 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -117.48 -24.75 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 73.33 110.9 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 -14.82 30.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t 38.01 42.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 72.01 111.168 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.34 156.87 17.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.878 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.21 166.93 15.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 65.01 110.874 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.74 8.73 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 73.03 112.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -50.9 -32.59 21.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.894 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ptm -88.56 -25.37 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 60.41 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -22.13 44.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.858 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -85.01 -33.37 22.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -82.82 -45.5 14.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 53.44 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -53.95 -24.42 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 52.54 110.914 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.7 -19.24 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -85.57 -22.33 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.907 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.62 -49.07 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.85 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -45.56 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.896 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -52.26 -29.26 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.07 -30.68 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.873 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.86 HD13 HG21 ' A' ' 59' ' ' THR . 28.7 mm -49.22 -60.36 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.121 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.03 -20.97 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -62.19 -50.85 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.87 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 168.21 29.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 72.44 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.86 HG21 HD13 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -87.18 -35.54 18.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 74.0 111.142 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -51.99 -30.71 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.887 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -83.38 -31.45 26.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -41.43 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 63.4 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.67 -26.18 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -33.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 75.05 110.92 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -84.01 -51.28 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.919 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -68.75 -10.13 54.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.905 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.29 -22.09 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.19 -33.98 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.31 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.45 7.08 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.875 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.664 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -69.75 -9.84 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.877 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -42.37 97.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.4 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -86.27 -21.54 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 20.0 m-85 -79.04 -51.36 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 61.02 110.902 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.96 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.905 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.44 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.081 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -49.69 -37.14 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.921 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -49.83 -36.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.45 110.826 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.3 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.42 111.099 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -87.3 -21.84 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 8' ' ' PHE . 7.4 tt -52.16 -42.45 63.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -26.93 68.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.885 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -83.83 -41.71 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.53 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -55.59 -25.09 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.92 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.573 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -51.12 -45.39 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 55.1 110.894 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -84.37 -36.41 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.15 -54.58 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.866 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 3' ' ' THR . . . -52.63 -58.96 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.21 111.08 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 56.83 24.13 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.878 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -114.51 72.48 2.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 73.52 110.891 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -27.03 26.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 74.41 112.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.23 -45.74 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 41.3 112.457 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 74.13 110.888 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 73.22 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -57.45 -18.56 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.24 111.1 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -64.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 70.32 111.126 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -90.73 -20.15 22.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 72.4 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -77.69 -54.92 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 18.9 tt0 -64.07 -20.52 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.89 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -87.4 -36.65 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 72.03 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' HD1' HD12 ' A' ' 80' ' ' LEU . 3.5 m-85 -78.99 -38.84 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 64.44 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.65 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 53.15 111.094 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.28 -30.51 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 53.42 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -87.71 -29.44 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.962 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.087 HD13 HD12 ' A' ' 15' ' ' LEU . 2.6 mm? -77.25 -24.21 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -15.54 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.903 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.7 -0.73 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.864 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.087 HD12 HD13 ' A' ' 12' ' ' LEU . 7.1 mt -108.08 -47.09 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.574 ' HB3' HG23 ' A' ' 59' ' ' THR . 16.3 m-20 50.93 26.26 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.856 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.29 -63.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.52 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.12 -58.64 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.45 110.922 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.07 -49.28 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.889 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -62.24 -27.5 69.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 63.03 111.115 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -23.68 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -39.61 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 71.12 110.881 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -59.86 -39.1 84.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.855 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.04 -21.11 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 63.55 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.2 0.75 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.809 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -35.04 36.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -57.5 -26.46 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 51.54 110.894 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -83.45 -16.33 46.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 52.34 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -51.4 -22.57 3.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 63.24 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -49.38 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.41 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -73.68 -25.18 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.853 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.19 10.2 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.12 111.093 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.78 -21.31 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.52 110.871 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 162.46 0.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 60.22 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 138.7 38.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 75.11 112.367 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.05 30.1 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.89 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 39' ' ' THR . 0.6 OUTLIER 75.91 -58.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 73.44 110.879 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.94 -43.31 49.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.076 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p 48.42 33.95 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 71.12 111.156 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.7 168.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.907 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -93.22 166.93 15.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 74.34 110.885 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 9.54 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 72.53 112.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -26.8 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.32 110.836 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -31.32 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.886 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -68.91 -22.85 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 51.44 110.882 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.3 -33.98 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.33 110.849 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -83.75 -48.35 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.09 -24.0 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.889 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -20.02 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 63.43 110.866 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -22.37 25.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -47.48 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.864 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.62 62.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.896 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -53.3 -26.82 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -31.73 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.862 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.1 mt -51.87 -62.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 75.12 111.112 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.82 -15.31 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 54.23 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.34 -39.1 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 54.12 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 177.41 -32.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -45.86 -34.31 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.16 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.52 -36.87 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.847 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.69 -39.77 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.902 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -41.66 88.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.1 110.877 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.431 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 15.1 t-20 -52.65 -24.97 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.13 110.92 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -32.67 43.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -84.09 -52.14 6.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.95 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -12.36 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.23 110.906 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -24.47 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.842 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 52.23 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -102.93 7.64 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.849 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.1 p -62.25 -16.46 53.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.22 110.885 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.94 -41.55 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 53.51 110.869 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -21.41 28.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 15' ' ' LEU . 19.7 m-85 -79.97 -51.43 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.02 110.898 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -58.31 -22.77 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 71.43 110.888 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.67 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.072 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -39.41 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.929 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.19 -36.59 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 65.21 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.1 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.12 111.099 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -87.65 -22.39 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 55.13 110.883 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.2 tt -52.82 -42.21 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.77 -26.74 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.946 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -44.57 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 62.3 110.906 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -27.98 40.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.938 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -43.53 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 32.52 110.939 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -84.27 -38.7 20.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -51.81 -47.44 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.91 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -58.7 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 42.41 111.117 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 57.65 23.45 9.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -119.7 69.09 12.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 64.24 110.847 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.84 30.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 64.03 112.362 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.08 145.18 19.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 34.2 112.517 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 53.42 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.807 0.337 . . . . 62.34 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.8 -18.25 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 70.51 111.102 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -47.93 -64.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.23 111.13 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -47.23 -40.03 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.4 111.166 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -69.18 -43.29 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 73.03 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.39 -20.84 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 71.24 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.38 -36.64 15.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 70.42 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.76 ' CD1' HD12 ' A' ' 80' ' ' LEU . 2.6 m-85 -81.65 -39.09 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.31 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -19.89 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 65.4 111.102 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.06 -31.61 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 64.44 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -88.23 -29.81 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.72 HD13 ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -83.28 -25.11 31.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 55.12 110.927 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -16.51 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.853 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -101.95 -0.9 33.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.836 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 73' ' ' PHE . 2.6 mt -114.35 -43.41 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.6 m-20 50.51 35.0 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.89 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.41 -61.54 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 60.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -85.52 -61.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.72 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -50.01 -54.15 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 63.44 110.867 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -58.51 -22.47 55.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.088 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -85.36 -33.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.874 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -79.7 -35.7 38.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.547 ' HB3' HD11 ' A' ' 55' ' ' ILE . 1.4 mpp? -55.7 -28.54 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.41 110.852 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -21.27 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 51.24 110.838 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.49 0.02 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -36.47 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -24.02 56.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 54.41 110.885 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -79.97 -17.48 52.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.11 -22.61 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.825 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.4 -59.35 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 65.13 110.932 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.5 -27.28 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 9.87 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 42.42 111.063 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -56.6 -21.21 25.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.51 110.897 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.23 162.33 0.52 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 71.45 110.837 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 131.78 21.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 74.44 112.332 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.86 29.98 7.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.843 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.87 -58.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.872 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.99 -29.61 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.108 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t 39.43 40.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.14 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.89 157.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.947 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -92.93 166.35 16.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 75.21 110.838 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.73 8.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 74.15 112.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -50.13 -33.43 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.838 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -88.46 -26.28 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -21.28 59.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.917 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.72 -34.33 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -84.01 -46.27 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.842 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -53.5 -24.74 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 54.41 110.91 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -19.76 58.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -84.78 -22.46 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.74 -48.23 11.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -45.02 63.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.28 -27.08 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 72.11 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -32.8 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 23' ' ' MET . 71.6 mt -53.9 -62.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.22 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.61 -15.61 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 74.4 110.912 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -78.67 -36.96 43.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 74.35 110.891 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.566 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.1 m -47.65 -32.98 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.128 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' HG22 ' A' ' 55' ' ' ILE . 18.1 t0 -49.75 -33.75 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.848 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.2 -41.84 16.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 75.01 110.903 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -40.26 88.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 62.52 110.874 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 7.0 t-20 -54.4 -22.47 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 52.24 110.908 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 -28.36 22.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.926 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -52.72 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.876 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -65.82 -11.92 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.865 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -50.83 -26.6 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.891 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -40.16 89.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.875 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -93.26 7.98 42.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.42 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -9.09 42.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.877 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.25 -42.95 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.51 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -86.78 -22.6 25.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.51 110.844 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 15' ' ' LEU . 23.5 m-85 -80.99 -49.97 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.887 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -21.66 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.48 -28.68 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 73.44 111.056 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -48.92 -38.01 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 73.32 110.851 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -36.39 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.868 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.26 87.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 55.44 111.097 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -87.15 -21.07 26.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.76 HD12 ' CD1' ' A' ' 8' ' ' PHE . 9.2 tt -49.38 -49.57 44.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.928 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -31.75 14.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.78 -38.2 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -22.2 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.527 ' N ' HG23 ' A' ' 4' ' ' THR . 0.4 OUTLIER -47.91 -32.11 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.91 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -84.7 -47.42 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 61.11 110.89 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -51.48 -30.51 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.887 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -58.95 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.1 111.108 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 53.72 26.7 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.93 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' HB2' HG22 ' A' ' 3' ' ' THR . 1.1 m-85 -86.23 160.43 51.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 74.15 110.876 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.94 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.272 . . . . 73.02 112.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.01 -172.86 12.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 73.41 112.491 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.848 0.356 . . . . 72.24 110.884 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.775 0.322 . . . . 70.24 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.15 -22.14 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 73.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -49.91 -64.39 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.169 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.8 t -90.89 -20.58 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 64.45 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' OH ' HD13 ' A' ' 81' ' ' LEU . 21.5 m-30 -75.01 -51.72 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.913 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -19.84 66.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -87.32 -37.41 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 80' ' ' LEU . 3.6 m-85 -79.63 -38.99 32.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 71.23 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.43 111.118 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 -29.28 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 63.04 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -87.27 -31.15 20.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 19' ' ' PHE . 2.5 mm? -70.43 -25.51 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.893 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -11.02 39.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.892 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.484 ' C ' HD23 ' A' ' 15' ' ' LEU . 2.5 mtt180 -105.27 -2.13 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.85 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -113.39 -41.39 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.919 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 33.0 m-20 54.32 38.49 29.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.883 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -99.62 -65.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 60.1 111.114 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -88.8 -60.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.8 m-85 -54.87 -21.97 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.865 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB1' ' CG2' ' A' ' 59' ' ' THR . . . -71.2 -44.38 65.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 55.25 111.119 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -85.17 -14.52 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.844 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -37.71 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 73.01 110.927 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.6 tpp -61.93 -25.55 67.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.896 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -49.09 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 54.53 110.867 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.69 0.05 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 53.5 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -59.37 -30.41 68.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.12 110.91 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -57.03 -33.85 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -52.86 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -59.43 -20.44 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 73.21 110.862 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -68.78 -45.86 70.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.29 -21.07 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.12 -16.83 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 70.44 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.91 6.0 30.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 55.33 110.845 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.59 157.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 74.14 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.55 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 73.22 112.35 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.32 -49.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.82 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -116.55 -26.3 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.865 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -84.36 -22.43 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 54.51 111.104 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.3 t 35.97 66.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 70.13 111.129 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 40' ' ' LEU . 1.8 pt? -119.66 169.41 10.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.55 110.925 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.79 166.52 15.64 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.699 0.761 . . . . 35.31 110.842 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 9.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.673 2.248 . . . . 71.21 112.369 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.16 -33.5 19.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -25.73 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.829 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -70.71 -51.94 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.21 -42.32 75.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -62.49 -46.01 90.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.878 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.8 -23.98 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.66 -19.9 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.874 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -21.82 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.925 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.71 -43.74 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 65.51 110.921 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.16 -44.94 61.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -57.39 -29.26 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.469 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -87.7 -19.89 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.885 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -65.18 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 64.12 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -15.49 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.942 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -63.58 -47.95 79.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.875 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.23 42.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.858 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.673 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 2.9 m -86.02 -36.8 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.1 111.183 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.74 -30.74 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.872 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -29.83 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.2 110.909 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -57.74 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.894 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.42 -27.85 2.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 72.15 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -42.19 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -85.72 -48.37 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.918 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.815 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 1.1 tpt -63.84 -14.5 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.908 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -22.41 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 52.4 110.806 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.24 -34.53 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -102.98 -3.77 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.856 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.608 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 55.9 p -70.18 -10.3 58.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.3 110.826 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -42.32 89.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.35 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -85.76 -21.5 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 17.3 m-85 -77.58 -52.29 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -52.15 -27.69 15.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 60.2 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.18 -31.87 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 64.34 111.081 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -36.58 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 65.45 110.936 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -37.46 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.887 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.98 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 52.41 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -88.03 -22.33 24.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.857 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -51.6 -43.81 62.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.907 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -58.05 -31.89 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.932 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -85.66 -35.48 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -23.5 43.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 65.13 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -49.97 -30.98 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -84.15 -52.93 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 65.22 110.906 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.88 -41.72 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.76 -58.8 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 30.41 111.068 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 57.01 24.05 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.14 110.929 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' HB2' HG22 ' A' ' 3' ' ' THR . 2.8 m-85 -67.94 160.4 74.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 70.51 110.91 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.86 38.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.248 . . . . 73.34 112.399 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.83 -78.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 50.35 112.446 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 71.21 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.794 0.331 . . . . 73.22 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -56.05 -19.66 13.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 63.53 111.114 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -64.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 53.25 111.146 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 t -90.59 -20.49 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 75.2 111.171 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.41 -53.83 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.09 -19.98 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.08 -36.95 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.32 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.09 -38.0 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.829 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -16.2 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.32 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 61.22 111.142 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -89.42 -29.27 19.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.918 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.839 HD23 HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.35 -25.13 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.917 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.64 -15.41 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.05 110.89 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -1.55 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 65.32 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HD23 ' A' ' 12' ' ' LEU . 65.5 mt -93.34 -49.27 6.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 65.31 110.92 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 4.8 m-20 61.76 16.26 7.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.41 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 70' ' ' SER . . . -98.4 -63.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.109 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -86.62 -58.74 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -49.83 -56.55 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.02 110.881 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' ND2' ' A' ' 63' ' ' ASN . . . -55.23 -25.02 30.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 50.22 111.084 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.9 -22.31 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 74.35 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -81.1 -39.85 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.91 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.634 ' HB2' HD11 ' A' ' 55' ' ' ILE . 21.2 mmt -55.74 -35.6 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.878 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -24.49 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.893 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -81.59 0.04 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -42.24 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 71.33 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.07 -35.6 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 62.2 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -83.95 -17.83 39.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 61.24 110.969 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -21.86 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.888 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.38 -55.59 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -57.65 -29.0 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 63.42 110.878 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.53 8.73 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 24.32 111.101 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.23 -21.71 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.864 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 mmmp? -49.85 108.47 1.0 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.509 0.671 . . . . 64.5 110.935 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 34' ' ' LYS . 54.0 Cg_endo -69.74 98.54 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 70.42 112.344 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -125.19 -51.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.84 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 38' ' ' ALA . 1.2 pp20? -99.92 -34.61 10.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.889 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . . . -89.94 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.11 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 35' ' ' PRO . 5.1 p 51.77 28.81 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.45 111.119 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD11 ' HG2' ' A' ' 44' ' ' MET . 1.8 pt? -82.36 176.16 9.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.914 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -93.49 167.75 13.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 50.3 110.863 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.75 8.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 31.34 112.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -51.9 -30.02 22.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.866 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.482 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -84.59 -28.78 26.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 73.32 110.862 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -67.84 -22.99 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.14 110.906 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -85.67 -35.65 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -82.04 -48.86 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -55.45 -24.97 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.942 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.47 -17.29 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 74.55 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -85.46 -20.93 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.913 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.63 -40.58 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 63.41 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.31 -44.4 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.05 -25.6 22.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 52.55 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -32.77 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 63.21 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 23' ' ' MET . 77.4 mt -52.95 -63.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.138 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.36 -15.1 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.939 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.18 -36.93 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.893 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.34 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.1 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.98 -31.4 5.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.147 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' ILE . 7.1 t70 -51.87 -33.2 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.87 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -82.98 -39.57 21.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 1.3 t80 -65.67 -34.09 77.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.556 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 9.1 t-20 -67.5 -20.83 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 71.44 110.847 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.84 -36.14 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.907 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 62' ' ' PHE . 13.4 ptmt -84.38 -45.03 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 72.35 110.892 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.446 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 11.5 mmt -68.65 -11.46 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.883 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.11 -25.59 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.832 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -61.0 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.883 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -79.15 -10.76 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 17' ' ' ALA . 1.5 p -69.67 -9.32 53.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 50.04 110.817 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.13 -43.16 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 53.42 110.846 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -86.42 -21.39 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.78 -22.84 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.06 -30.06 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.43 111.092 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -37.18 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 65.54 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -38.7 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.872 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.75 80.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 40.1 111.06 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -89.2 -23.63 22.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 12' ' ' LEU . 17.4 mt -54.55 -47.92 72.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.06 -17.78 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 70.43 110.896 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.49 -24.4 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 64.45 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -49.36 -57.27 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 74.22 110.917 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -82.95 -49.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.875 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -46.85 -57.07 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -66.45 -34.29 77.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -59.19 -58.8 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.102 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.15 -64.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.929 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' N ' ' HD2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 179.73 -61.12 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 75.34 110.86 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 89' ' ' PHE . 53.3 Cg_endo -69.79 80.95 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 74.44 112.314 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.09 -144.1 14.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 61.21 112.49 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 71.41 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.787 0.327 . . . . 55.22 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -62.2 -17.95 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 43.24 111.13 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -62.84 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 65.52 111.151 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 84' ' ' GLN . 32.2 p -46.24 -45.64 17.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 54.52 111.161 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.13 -41.01 74.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 64.4 110.944 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.73 -19.69 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 73.01 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -87.58 -40.32 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 72.01 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CD1' HD22 ' A' ' 80' ' ' LEU . 2.9 m-85 -71.26 -42.88 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.898 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -63.08 -18.62 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.24 111.106 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.84 18.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.11 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 -27.76 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 64.23 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -85.25 -24.09 27.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.907 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 -17.44 32.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 42.53 110.876 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -94.28 -1.07 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.13 110.861 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -118.16 -42.63 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.899 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 47.75 34.57 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.85 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.92 -61.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 64.23 111.085 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -87.08 -51.59 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 64.24 110.895 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -52.76 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.898 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -64.79 -22.46 66.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.078 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -85.81 -22.62 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -29.4 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 50.51 110.878 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.96 79.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.869 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.55 -40.36 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -80.83 -0.88 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.24 110.882 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.4 -24.61 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.846 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -63.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.937 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -21.85 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -79.0 -7.97 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.871 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -121.84 -20.91 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 75.31 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.71 -40.56 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.088 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.31 6.68 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 72.5 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.74 106.74 0.65 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.551 0.691 . . . . 74.4 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 73.03 112.317 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.0 m-20 -106.12 28.35 7.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.876 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 76.84 -57.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.865 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -95.67 -56.05 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.43 111.077 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 78.64 -5.13 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.123 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -178.19 -165.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.946 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.452 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -88.9 168.28 16.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 52.53 110.872 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.38 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 73.53 112.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 3.0 pt-20 -56.43 -36.11 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.835 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 40' ' ' LEU . 2.3 ptt? -89.56 -24.84 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.875 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -78.58 -21.32 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.43 110.931 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -84.54 -33.33 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 20.0 t-80 -84.2 -45.6 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.857 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.27 -25.17 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.898 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.13 -18.89 63.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 60.41 110.9 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -82.79 -22.42 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 65.2 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -44.59 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.36 -44.98 95.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.888 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -53.24 -24.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.25 -31.66 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 71.02 110.865 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 61.5 mt -51.56 -61.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.23 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.37 -14.9 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.861 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -38.26 47.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 73.42 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.91 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -47.03 -31.0 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.32 111.163 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.14 -34.47 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.897 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -83.89 -41.56 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.9 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.68 -58.33 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 30.6 t30 -52.34 -22.27 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.858 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.73 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -84.61 -41.95 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.887 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -69.85 -7.53 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 52.43 110.857 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -53.34 -26.23 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.65 -30.84 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.844 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -87.68 7.13 31.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 62.54 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 m -71.39 -8.76 55.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 64.21 110.855 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.4 -43.48 85.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.925 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -86.56 -22.99 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 72.41 110.853 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 15' ' ' LEU . 17.7 m-85 -80.33 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.89 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -23.54 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.12 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 42.13 111.089 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -57.07 -39.76 75.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.926 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.47 -38.38 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 61.25 110.845 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.37 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.24 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -89.47 -21.7 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.748 HD22 ' CD1' ' A' ' 8' ' ' PHE . 18.0 mt -56.73 -51.97 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 64.52 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -35.32 11.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.941 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.22 -29.28 23.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 74.45 110.904 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.653 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -48.83 -58.32 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.9 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.653 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.1 OUTLIER -78.29 -55.52 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 61.14 110.874 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.61 -61.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.14 -33.94 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 64.25 110.87 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -66.15 -26.88 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 55.45 111.089 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -74.26 -26.28 60.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 58.05 71.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.74 . . . . 63.41 110.874 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 134.18 27.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.276 . . . . 73.55 112.383 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -110.66 84.68 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 55.4 112.443 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 70.41 110.894 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.841 0.353 . . . . 73.32 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 5' ' ' TYR . . . -60.56 -17.34 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.753 HG21 ' HA ' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -51.03 -65.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 54.12 111.177 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 87' ' ' ALA . 70.2 p -88.14 -21.29 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 71.41 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 2' ' ' ALA . 5.4 m-85 -72.82 -51.78 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 75.25 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.65 -20.28 66.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -88.2 -37.8 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.864 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.9 m-85 -76.18 -38.76 56.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.831 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.85 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . . . -89.29 -30.27 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 65.23 111.093 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -87.19 -29.75 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.944 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.682 HD13 HD12 ' A' ' 15' ' ' LEU . 3.3 mm? -68.51 -25.08 64.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -13.93 25.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' C ' HD23 ' A' ' 15' ' ' LEU . 17.3 mmt180 -100.17 -1.21 37.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.876 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 12' ' ' LEU . 3.5 mt -111.85 -42.75 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.885 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 50.2 m-20 51.77 34.49 13.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.905 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.8 -64.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.41 111.111 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.33 -61.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.9 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.14 -19.73 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 75.23 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' OD1' ' A' ' 63' ' ' ASN . . . -78.01 -40.76 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.077 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -85.42 -24.9 27.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.22 110.91 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.74 -41.29 23.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.886 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -35.57 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.9 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.13 -21.0 64.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 65.44 110.866 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.89 0.39 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 62.12 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.3 -34.48 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.17 -22.8 52.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.896 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -16.1 53.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.45 110.903 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -51.06 -22.99 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.85 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -57.9 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.937 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.43 -26.66 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 74.31 110.844 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 10.56 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -21.01 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -49.52 163.06 0.4 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 71.11 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.46 23.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 50.44 112.367 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 8.9 m-20 -122.76 30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER 76.22 -59.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.87 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.17 -39.51 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 64.45 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.0 p 49.11 40.74 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.158 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.78 153.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.893 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.21 167.4 14.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.732 . . . . 50.25 110.865 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 10.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 72.55 112.367 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -26.76 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 75.15 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -88.07 -22.26 24.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 65.33 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.13 -24.56 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -85.06 -38.61 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.933 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 t60 -77.06 -45.27 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 73.43 110.844 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -52.75 -23.9 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 65.42 110.878 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.48 -19.61 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.01 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -22.62 25.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -36.11 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 55' ' ' ILE . 5.6 pt-20 -57.47 -27.42 62.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 70.33 110.868 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -77.13 -21.26 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -41.94 14.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.893 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 1.3 tt -57.86 -43.95 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 61.55 111.135 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -80.76 -15.67 55.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.942 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 1.4 mm-40 -77.42 -51.02 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.847 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER 165.39 36.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 65.25 110.869 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -84.99 -31.96 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.41 111.151 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -50.48 -31.22 14.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.861 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -38.81 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.35 -40.56 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.611 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.12 -26.73 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.893 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -79.16 -31.46 43.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -82.69 -52.37 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.865 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.96 -10.26 56.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 65.12 110.88 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -20.53 33.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.53 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.39 -39.32 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -102.84 2.99 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.747 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 65.8 p -72.46 -8.81 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.871 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -86.15 -21.49 27.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.55 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.97 -51.89 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.03 110.871 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -55.69 -23.52 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 62.34 110.946 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.54 -31.46 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 40.41 111.098 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.629 ' HG3' HD12 ' A' ' 80' ' ' LEU . 3.7 tppt? -50.19 -38.3 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -36.73 29.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.881 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.85 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 65.35 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -88.11 -21.79 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD12 ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -52.75 -40.81 63.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.924 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.75 -31.04 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -85.99 -33.44 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.451 ' C ' HG21 ' A' ' 4' ' ' THR . 3.7 tt0 -74.34 -30.12 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -50.68 -30.9 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 61.22 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -51.69 -47.57 63.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 52.42 110.901 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.49 ' HB3' HG23 ' A' ' 4' ' ' THR . . . -70.02 -24.37 63.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 61.3 111.121 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.753 ' HA ' HG21 ' A' ' 3' ' ' THR . 9.4 tm0? -77.89 -25.22 48.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.913 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.9 t80 52.87 73.18 0.98 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.675 0.75 . . . . 74.23 110.911 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 74.2 112.309 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 149.58 -109.8 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 72.32 112.504 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 65.24 110.888 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 75.24 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB2' ' OE2' ' A' ' 43' ' ' GLU . . . -57.85 -18.12 20.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 53.43 111.103 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.144 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.34 -21.41 22.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 51.45 111.096 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.73 ' OH ' HD13 ' A' ' 40' ' ' LEU . 7.5 m-85 -72.91 -51.68 17.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.906 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.25 -20.96 66.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.873 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -89.25 -37.4 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.863 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 80' ' ' LEU . 3.3 m-85 -78.47 -39.12 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . . . -62.04 -19.67 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 71.35 111.094 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.73 -33.54 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 51.13 111.107 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -28.51 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.54 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 15' ' ' LEU . 4.2 mm? -76.72 -30.49 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 71.11 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.52 -16.7 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -97.36 -1.83 43.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.893 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 12' ' ' LEU . 13.2 mt -103.64 -45.89 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.21 110.909 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 59' ' ' THR . 88.9 m-20 58.89 20.85 8.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.895 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 70' ' ' SER . . . -98.38 -59.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.114 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -85.93 -49.75 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 54.35 110.877 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -51.67 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.886 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -51.36 -25.06 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 74.1 111.095 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -27.1 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.31 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -61.83 -48.45 80.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 62.15 110.897 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -25.65 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.89 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -83.84 -19.82 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.71 0.06 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 63.31 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -45.6 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 60.44 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -56.81 -36.14 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.891 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -83.47 -16.29 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.54 110.915 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -51.59 -22.29 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.862 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -76.89 -47.24 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 61.24 110.909 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -76.15 -25.1 54.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 44.21 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.2 10.3 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.3 111.091 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.63 -21.22 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.819 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.5 157.94 0.87 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 72.3 110.891 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.42 67.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 61.11 112.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -121.26 27.69 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.863 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.77 -58.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.895 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -32.23 16.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.21 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t 38.42 41.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 70.51 111.131 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD13 ' OH ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -54.46 174.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 42.45 110.89 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -94.59 167.04 13.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 73.44 110.834 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.77 9.33 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 70.12 112.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -53.55 -25.91 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.901 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -79.35 -30.04 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.01 110.901 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -67.5 -23.76 65.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.933 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.91 -35.67 21.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 11.2 t-80 -80.61 -48.5 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -53.55 -24.21 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.13 110.955 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.02 -19.82 54.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 53.45 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -21.96 24.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.909 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 73.1 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 55' ' ' ILE . 11.5 pt-20 -50.58 -42.49 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.855 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -52.99 -22.94 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -33.89 24.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 2.3 tt -59.71 -36.82 68.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.176 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.62 -15.59 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.24 -37.34 33.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.44 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 51.44 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 16' ' ' ASP . 1.2 m -45.44 -31.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 73.13 111.11 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.13 -39.65 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 74.3 110.846 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -83.37 -31.91 26.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -37.0 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.883 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.85 -24.32 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -80.67 -32.53 36.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -52.64 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.943 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.616 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.21 -6.91 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.915 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -22.25 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.866 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.26 -38.17 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -103.42 6.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 83.8 p -70.67 -9.69 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.856 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.13 -41.15 95.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 71.11 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -86.33 -21.4 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CD2' HD13 ' A' ' 15' ' ' LEU . 22.6 m-85 -80.37 -50.39 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 72.2 110.867 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.69 -23.08 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.914 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.69 -31.03 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.35 111.09 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -48.82 -43.98 38.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 44.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -47.93 -35.26 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.44 90.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 64.01 111.127 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.11 -21.7 36.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.7 tt -51.07 -40.53 58.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.901 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 45.24 110.907 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.92 -47.77 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.85 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -22.53 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -50.27 -30.38 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -78.87 -45.9 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 64.35 110.961 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.08 -33.17 75.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.8 -53.77 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.33 111.12 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -97.94 33.49 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.926 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 63.24 160.47 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 72.3 110.888 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.8 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 75.14 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -158.05 115.5 0.66 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 71.21 112.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.22 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 61.32 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.94 -27.37 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 51.12 111.109 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -54.76 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 63.31 111.159 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.64 -41.19 41.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.166 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.61 -41.43 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.898 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -65.34 -21.39 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 65.43 110.853 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.89 -41.1 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CD2' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.21 -45.57 87.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 52.54 110.906 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.21 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 52.34 111.085 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -32.35 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.12 111.091 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' CG ' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -87.2 -15.3 38.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 52.05 110.882 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 19' ' ' PHE . 43.5 mt -97.16 -38.82 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.33 110.936 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -59.99 -17.07 35.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 64.53 110.869 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -93.25 -0.93 56.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.846 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -112.82 -52.26 2.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 61.32 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' THR . 7.9 m-20 46.46 28.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.23 110.848 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.7 ' HB2' ' HG2' ' A' ' 66' ' ' MET . . . -100.75 -63.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.44 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -86.39 -61.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.888 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -53.87 -24.69 16.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.846 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 63' ' ' ASN . . . -68.36 -41.01 81.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.02 111.077 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -85.64 -27.25 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 70.45 110.913 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -78.02 -40.27 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.889 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 tpt -55.24 -35.33 64.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 55.02 110.844 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.43 -20.85 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 61.43 110.942 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.22 0.18 33.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 54.01 110.91 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.45 -28.62 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 72.1 110.93 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -57.85 -20.9 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -78.27 -16.41 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -22.47 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -78.28 -53.03 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 64.52 110.857 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -66.56 -27.42 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.86 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.31 10.56 29.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.135 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -56.02 -21.57 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.3 110.89 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 156.48 1.64 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 74.43 110.882 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 92.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 74.02 112.317 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 13.9 m-20 -124.85 27.93 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.835 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.5 tt0 80.74 -34.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.74 -2.14 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.124 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 p -77.26 49.53 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.46 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.943 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -91.51 165.89 19.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 74.01 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.8 7.97 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.685 2.257 . . . . 75.33 112.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 44' ' ' MET . 6.6 pt-20 -49.18 -42.75 40.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.411 ' N ' ' CG ' ' A' ' 43' ' ' GLU . 4.6 mtt -93.24 -19.29 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.52 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -64.55 -20.27 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -84.27 -35.56 23.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.924 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -35.72 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 61.32 110.84 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -54.48 -25.17 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.43 -18.78 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -83.28 -21.69 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.92 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -79.26 -51.77 9.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.889 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -55.4 -24.49 30.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 54.31 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 mtm -87.2 -30.88 20.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 64.23 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HB ' ' A' ' 59' ' ' THR . 57.2 mt -51.66 -62.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.33 111.153 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -38.39 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.75 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.32 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -47.59 -34.03 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 64.54 111.193 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.04 -36.65 70.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.863 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -83.21 -28.48 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -74.74 -34.54 62.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.908 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -54.85 -22.23 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.89 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -87.09 -28.46 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 53.42 110.871 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -84.41 -52.55 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.878 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -68.89 -8.19 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 60.54 110.879 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.22 -21.28 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.87 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -35.38 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -103.02 7.14 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 70.1 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.499 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 82.9 p -69.37 -10.74 59.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 61.32 110.841 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -37.68 58.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 65.22 110.847 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.9 -21.54 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.739 ' CD1' HD13 ' A' ' 15' ' ' LEU . 14.0 m-85 -75.24 -53.02 9.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.886 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -27.56 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.911 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.89 -42.44 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.43 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -56.05 -34.18 65.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.917 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -47.06 -40.76 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.62 80.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.01 111.109 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -86.6 -22.82 26.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 11' ' ' LYS . 1.4 mm? -59.13 -50.52 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 70.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.34 -30.68 71.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 61.53 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -80.18 -25.26 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.25 -54.67 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.01 110.959 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -47.66 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.88 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -49.24 -32.21 10.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.902 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.31 -44.52 78.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.56 -58.77 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.142 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 57.6 23.45 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -54.99 160.51 2.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 72.41 110.922 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.82 34.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 54.42 112.362 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.9 -70.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 44.44 112.505 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 pttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 71.44 110.872 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.21 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -83.36 -21.01 33.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -51.56 -41.32 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.52 111.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -51.66 -21.66 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 73.24 111.154 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -87.31 -43.35 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.892 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' HE1' ' A' ' 44' ' ' MET . 0.0 OUTLIER -60.21 -22.91 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.915 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -88.79 -37.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.3 m-85 -73.21 -41.03 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.1 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.615 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . . . -58.83 -19.49 41.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.12 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.82 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -24.53 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 74.42 110.937 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -81.51 -23.48 37.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.35 110.923 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -14.55 20.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -101.14 -1.71 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.83 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -41.17 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 62.11 110.922 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.2 m-20 50.02 38.71 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.864 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.56 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.03 111.129 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -86.03 -52.37 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CE2' HD13 ' A' ' 12' ' ' LEU . 2.5 m-85 -58.89 -46.96 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 52.41 110.846 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -64.0 -22.94 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -23.73 26.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 65.34 110.883 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -92.89 -33.8 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.887 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -56.51 -27.46 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.51 110.839 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -20.92 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.88 -0.13 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.924 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -49.97 -42.43 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.19 -33.48 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 54.2 110.864 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -83.38 -17.44 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 72.02 110.932 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -55.36 -21.43 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.22 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -27.62 61.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -104.2 -11.64 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.83 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.18 -9.62 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.096 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.88 -21.99 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.907 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 108.57 1.02 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 75.41 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 95.29 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 72.52 112.335 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.62 -51.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -110.72 -28.93 8.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.09 -57.83 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 54.14 111.06 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p 50.85 32.51 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.35 111.171 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.26 163.5 27.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.887 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -93.43 166.98 14.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.691 0.758 . . . . 74.01 110.846 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.7 9.34 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 75.14 112.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 2' ' ' ALA . 1.3 pt-20 -56.01 -38.88 71.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.851 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.574 ' HE1' ' HA ' ' A' ' 6' ' ' GLU . 72.0 mmm -91.11 -22.32 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.872 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 11.1 mtmm -65.31 -35.5 81.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.892 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -34.86 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 62.04 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -72.85 -41.68 64.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -53.11 -24.08 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.897 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.18 -19.29 61.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 73.03 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.8 -22.74 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 63.51 110.888 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -49.46 10.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.864 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.41 -44.97 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 51.25 110.895 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -52.44 -32.05 37.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -34.1 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.844 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 60' ' ' ASP . 59.7 mt -55.48 -64.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 50.04 111.153 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -64.02 -16.09 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.865 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.79 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.844 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.425 ' H ' HG23 ' A' ' 59' ' ' THR . 6.0 p -54.54 -22.0 11.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.186 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.2 t70 -47.82 -48.99 30.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 70.43 110.892 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -68.94 -39.97 79.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.866 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.56 -44.62 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.847 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -53.34 -23.12 8.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -83.46 -30.33 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 62.23 110.894 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -52.05 6.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.892 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.9 mmt -65.0 -13.22 57.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 44.04 110.908 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -53.08 -25.42 12.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.885 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -58.27 -34.94 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 51.13 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -102.78 -4.38 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.837 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -71.99 -8.47 54.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.866 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.81 -43.09 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 65.51 110.884 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -21.94 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.901 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -81.59 -49.78 10.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 64.22 110.875 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -23.47 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.13 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.04 111.098 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.01 -38.01 69.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.913 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -48.36 -37.86 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.45 110.859 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.51 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 63.32 111.101 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -87.9 -21.22 25.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.787 HD11 ' CD2' ' A' ' 8' ' ' PHE . 8.2 mt -56.47 -38.67 72.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 81' ' ' LEU . 3.1 tt -68.35 -30.6 69.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.902 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -84.89 -29.93 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.909 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.733 ' HB3' HG21 ' A' ' 4' ' ' THR . 3.3 tt0 -50.75 -55.58 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.02 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 4' ' ' THR . 0.9 OUTLIER -78.99 -54.41 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.896 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.99 -59.91 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 70.51 110.925 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -61.37 -31.53 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 63.21 110.908 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -67.14 -11.78 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 64.51 111.106 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -49.64 -31.19 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.921 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' N ' ' HD2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER 180.0 -60.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 52.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 89' ' ' PHE . 53.8 Cg_endo -69.8 -168.23 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.245 . . . . 73.32 112.368 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 -97.93 1.03 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 72.54 112.473 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 pttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 75.43 110.932 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.759 0.314 . . . . 71.34 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -60.89 -18.49 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.108 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -55.36 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 64.13 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.707 HG22 ' CB ' ' A' ' 84' ' ' GLN . 30.6 p -47.7 -42.59 25.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.175 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -79.65 -34.19 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.9 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.34 -20.23 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.64 -38.74 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 52.15 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 80' ' ' LEU . 1.5 m-85 -80.24 -39.14 29.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -16.43 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 53.24 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.53 -34.31 20.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -89.71 -26.95 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.914 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 15' ' ' LEU . 3.7 mm? -82.79 -22.99 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.23 110.89 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -10.24 31.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.865 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.73 -1.56 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.891 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -118.51 -42.15 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.918 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 70.0 m-20 58.23 43.44 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 65.32 110.853 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -99.94 -64.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 64.1 111.114 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -88.17 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 70.32 110.877 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -53.32 -23.37 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.904 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -77.61 -35.64 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 42.22 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -84.84 -24.28 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -46.04 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 73.42 110.911 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.3 mmm -54.05 -30.29 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 55.52 110.879 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -20.43 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.55 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.36 -0.47 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.52 110.828 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -50.36 -44.47 54.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 70.53 110.904 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -55.52 -31.13 61.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.13 110.872 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.3 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.868 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -22.98 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.63 -57.58 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.849 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -62.16 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.2 110.858 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.21 7.99 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.02 -20.85 26.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 55.42 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 156.41 1.27 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 73.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.81 24.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 44.51 112.329 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.35 29.45 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.817 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.28 -59.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.907 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -74.1 -62.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 60.43 111.11 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER 78.28 -34.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 70.22 111.136 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp 63.76 156.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.412 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -93.19 166.23 16.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.661 0.744 . . . . 64.33 110.841 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 8.14 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.638 2.225 . . . . 73.13 112.355 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 4.8 pt-20 -49.66 -36.52 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -23.15 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.05 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -77.64 -21.33 52.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -83.99 -34.26 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 63.5 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -84.04 -45.68 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -52.61 -23.48 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.928 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.43 -20.06 41.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 61.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -22.05 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.91 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -85.79 -31.79 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.887 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -28.2 55.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -22.05 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -21.51 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.866 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 20' ' ' ALA . 9.9 tt -87.76 -44.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.42 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 55' ' ' ILE . 8.4 mt-30 -73.93 -9.6 58.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.23 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -76.86 -43.38 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.38 54.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.874 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -85.91 -33.6 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 64.35 111.149 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -49.38 -34.57 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.905 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -85.74 -35.05 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -62.83 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 60.1 110.861 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -46.78 -34.92 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -61.6 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.907 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -48.64 10.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.843 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.721 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 24.3 mmt -65.78 -10.67 39.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 71.34 110.917 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -54.35 -23.69 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.914 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.94 -33.78 72.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.913 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -103.2 -14.44 16.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.843 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -56.93 -21.4 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.852 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.61 -50.63 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -84.12 -23.08 30.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.2 -47.57 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.869 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -53.56 -23.53 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.22 -31.08 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 64.14 111.126 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -49.84 -36.33 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 64.54 110.919 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -38.25 21.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.28 83.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 42.43 111.117 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -88.0 -21.61 24.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 63.42 110.908 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 4' ' ' THR . 13.2 tp -53.19 -52.05 60.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.919 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -33.94 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 70.31 110.934 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -86.27 -32.57 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.58 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.913 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.707 ' CB ' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -65.43 -53.13 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.02 110.905 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -47.7 -33.69 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.891 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -68.1 -48.44 65.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 63.24 110.893 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.09 -57.64 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 54.13 111.131 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 58.8 22.38 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.24 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -144.5 71.59 15.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 61.15 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 159.74 52.31 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.728 2.285 . . . . 71.34 112.363 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -112.6 -39.91 1.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 61.52 112.487 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 pttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 70.43 110.906 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 74.44 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.61 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . -50.92 -24.6 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 64.45 111.114 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 72.25 111.204 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.74 -19.68 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 72.53 111.143 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.453 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 17.8 m-85 -77.61 -54.08 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.909 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.35 -19.93 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.914 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.89 -37.38 17.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 63.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -78.02 -39.54 41.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.45 110.852 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.26 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 43.22 111.075 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.21 -30.69 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 61.2 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -30.73 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 70.23 110.879 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.35 -24.65 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -14.06 19.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.41 110.87 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' C ' HD23 ' A' ' 15' ' ' LEU . 5.9 mtp85 -105.58 -1.4 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.52 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 14' ' ' ARG . 4.2 mt -111.95 -42.73 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.918 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 54.21 36.78 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.85 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 66' ' ' MET . . . -100.77 -63.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 41.32 111.133 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.09 -62.55 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.05 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -53.3 -24.52 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 73.02 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.67 -37.66 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.119 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -23.4 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.858 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -77.58 -43.92 30.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.884 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.579 ' HB3' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -55.27 -34.85 64.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 73.51 110.854 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.2 -20.51 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.882 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.56 0.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.03 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -51.57 -37.18 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -58.16 -23.87 56.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.887 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.66 -15.15 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.4 110.917 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.24 -23.17 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.853 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -49.41 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.887 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -74.31 -24.62 59.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.877 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.37 10.35 29.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.104 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.67 -21.31 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.54 160.41 0.59 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 73.42 110.884 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 34' ' ' LYS . 53.6 Cg_endo -69.76 134.72 28.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 75.3 112.336 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.8 m-20 -122.73 32.35 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.85 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.4 tt0 77.78 -56.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.25 110.907 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.65 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 43.53 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m 76.73 -51.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.164 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.71 HD22 ' N ' ' A' ' 41' ' ' SER . 2.1 tm? 63.39 131.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 60.35 110.898 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.71 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -95.76 165.47 16.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 61.32 110.831 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 12.8 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 72.53 112.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.61 ' OE1' ' HB2' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -53.88 -28.11 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.878 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 5' ' ' TYR . 3.3 mmt -87.9 -19.97 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.879 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -24.79 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.46 -44.8 67.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -51.97 -23.96 5.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.953 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.86 -21.58 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.52 110.908 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -88.42 -22.6 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 72.42 110.901 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -45.09 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.853 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -45.46 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 44.4 110.908 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -54.48 -27.72 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.929 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -24.02 22.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.87 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 23' ' ' MET . 45.8 mt -55.99 -61.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.136 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -71.36 -16.15 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 58' ' ' HIS . 2.4 tt0 -65.92 -51.49 58.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER 167.45 38.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.02 110.865 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' HA ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -85.5 -27.01 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 75.03 111.136 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -58.87 -31.58 68.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.828 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -84.25 -30.33 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -48.36 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.882 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -53.43 -22.43 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 62.15 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.34 58.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.898 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -44.82 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.92 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.609 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mmt -72.99 -7.14 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.877 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -22.74 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.852 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -29.2 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 73.5 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -103.4 -21.43 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 65.42 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 57.9 p -54.57 -23.32 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.02 110.837 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.39 -55.08 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.34 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -86.08 -22.5 27.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.843 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -73.11 -51.76 16.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.885 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -51.53 -26.76 9.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.12 -30.88 22.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.53 111.146 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 80' ' ' LEU . 8.0 tptp -50.3 -37.34 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.861 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -37.34 17.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.877 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.95 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.09 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -88.08 -21.73 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -51.82 -42.76 62.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.936 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 63.03 110.967 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.82 -25.37 26.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 71.05 110.877 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -49.47 -56.7 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.921 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -82.7 -50.04 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.77 -61.64 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.3 -35.11 74.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 74.14 110.87 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 83' ' ' GLN . . . -60.89 -45.88 92.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -63.41 -25.61 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.934 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.98 141.1 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 72.01 110.854 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 154.07 68.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 64.14 112.335 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.12 173.33 32.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 20.34 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 53.11 110.924 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 63.32 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.54 -22.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 61.21 111.142 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.21 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 64.22 111.15 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -89.87 -20.57 23.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 74.11 111.131 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.36 -53.29 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -68.47 -16.76 64.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.871 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.45 -43.2 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.51 110.859 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' C ' ' CD2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.24 -39.52 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 55.34 110.926 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 47' ' ' HIS . . . -62.59 -15.08 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 44.43 111.082 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.29 -32.93 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.01 111.145 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -88.55 -29.9 19.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 19' ' ' PHE . 1.8 mm? -65.97 -38.36 88.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.934 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -12.77 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 72.32 110.869 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -97.44 -1.57 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -110.76 -44.66 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.934 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 20' ' ' ALA . 64.2 m-20 48.87 37.32 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 53.33 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.3 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.073 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 54.51 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.83 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.34 -19.71 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 65.04 110.856 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -70.01 -43.81 70.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 72.54 111.076 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.3 -20.83 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 54.22 110.951 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.95 -42.38 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 52.5 110.921 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.2 tpt -56.97 -31.76 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.853 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -0.51 53.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 70.45 110.861 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -33.3 75.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.936 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -29.38 14.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.924 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -83.36 -52.39 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -21.54 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -70.45 -48.36 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.5 110.907 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -53.8 -25.36 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.64 -21.47 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.68 5.91 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.864 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.78 157.26 1.06 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 72.03 110.92 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 75.12 112.366 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -124.16 -36.38 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.861 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.01 -31.83 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.869 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.99 -20.99 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 55.41 111.089 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t 37.29 43.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.179 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.72 177.15 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 51.34 110.95 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -94.04 166.51 15.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 71.13 110.876 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.73 10.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 72.51 112.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 41' ' ' SER . 4.9 pt-20 -51.3 -31.65 22.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 72.24 110.848 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -88.91 -25.81 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.854 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -20.64 40.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 62.11 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.26 -35.04 28.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 71.11 110.885 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.4 t-160 -84.16 -45.15 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -54.42 -23.57 16.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.926 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.18 -17.16 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.15 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -22.15 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 52.51 110.879 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -81.97 -32.72 30.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.901 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 55' ' ' ILE . 9.5 pt-20 -66.54 -31.35 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 55.1 110.929 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -24.66 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.948 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -22.09 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 61.33 110.918 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' GLN . 10.3 tt -82.6 -43.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.115 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' ILE . 44.9 mt-30 -80.98 -11.73 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 61.22 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -46.57 60.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 171.32 48.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.671 HG21 ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -86.36 -31.48 21.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.02 111.141 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.55 -33.89 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.872 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -86.0 -31.79 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.53 110.884 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.4 -59.49 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.873 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.41 -33.89 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.34 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -41.72 95.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.01 110.865 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -84.13 -47.59 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 43.43 110.933 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mmt -64.88 -12.58 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.13 110.86 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -20.14 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.92 -32.11 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.15 110.882 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -102.9 7.53 39.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 63.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.0 p -58.85 -19.69 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 63.02 110.896 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.29 -43.45 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 73.41 110.858 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -84.77 -21.33 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.766 ' CD1' HD13 ' A' ' 15' ' ' LEU . 19.6 m-85 -77.74 -52.23 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.922 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.19 -23.64 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.896 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.52 -31.61 24.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 64.33 111.129 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -26.92 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.97 84.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.4 -31.7 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 50.32 111.092 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -78.86 -20.94 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -46.42 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.43 -34.69 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 64.35 110.911 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -85.93 -32.54 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.454 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -53.53 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.898 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.2 OUTLIER -66.28 -53.03 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 71.34 110.907 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -48.53 -33.62 9.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 72.2 110.866 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -64.67 -43.75 92.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.87 -57.8 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 53.3 111.114 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 57.15 23.68 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.02 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.34 160.5 49.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 74.23 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 135.8 31.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 70.14 112.334 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.54 -179.04 46.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 44.22 112.471 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.8 pttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 65.5 110.902 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.769 0.318 . . . . 74.5 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.06 79.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 52.23 111.086 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -48.3 -46.03 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.04 111.129 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.486 HG23 ' NE2' ' A' ' 84' ' ' GLN . 0.7 OUTLIER -44.55 -47.66 10.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 70.35 111.18 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 40' ' ' LEU . 25.0 m-85 -84.12 -40.12 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.14 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.75 -19.93 62.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -89.46 -40.76 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.42 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.797 ' CD1' HD22 ' A' ' 80' ' ' LEU . 10.5 m-30 -67.5 -43.74 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.872 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.16 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.112 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.8 -32.03 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.52 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 -16.36 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.873 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -97.62 -29.55 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.918 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.11 -18.42 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.86 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' C ' HD23 ' A' ' 15' ' ' LEU . 14.4 mmt180 -96.2 -1.15 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 14' ' ' ARG . 2.3 mt -113.49 -43.18 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 63' ' ' ASN . 16.7 m-20 47.19 34.41 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.851 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.32 -59.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.104 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.8 -60.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.86 -46.5 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.897 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 16' ' ' ASP . . . -58.52 -35.78 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 75.31 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -15.17 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 55.41 110.93 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.74 -29.13 16.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.869 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -30.14 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.45 110.902 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -81.22 -48.2 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.918 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -0.31 41.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.13 110.887 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -46.1 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.79 -38.53 48.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 63.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -83.84 -36.14 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -66.56 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.879 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -72.44 -12.56 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.855 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -123.5 -26.22 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.75 -40.41 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 72.23 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -86.73 6.55 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.42 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 2.4 ptmm? -48.87 107.62 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 73.5 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 39' ' ' THR . 53.1 Cg_endo -69.81 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 70.15 112.294 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.17 30.44 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' THR . 10.4 tt0 76.66 -54.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.21 86.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 54.22 111.124 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 37' ' ' GLU . 1.4 p 62.77 28.88 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 70.35 111.188 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD21 ' OH ' ' A' ' 5' ' ' TYR . 17.5 tp 65.03 167.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.03 110.898 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.47 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -81.1 168.41 25.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.714 0.769 . . . . 72.04 110.853 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.75 8.09 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 2.283 . . . . 64.12 112.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.01 -35.68 25.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.883 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -90.34 -22.56 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 54.34 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -72.21 -21.34 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.35 110.893 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -78.37 -31.63 48.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 62.33 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -85.23 -31.26 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 54.41 110.888 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.944 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -56.71 -22.14 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 63.45 110.859 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -23.27 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.877 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.11 -47.8 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.884 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -44.07 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -53.57 -35.34 60.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.95 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.845 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mm -62.31 -63.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 62.12 111.125 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -63.21 -16.41 60.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.79 -43.61 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 53.15 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.6 -32.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 75.3 110.884 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 p -55.73 -20.81 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.185 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.568 ' HB2' HG22 ' A' ' 55' ' ' ILE . 2.8 t70 -49.17 -45.66 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.31 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.89 -41.75 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.898 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.84 -44.1 86.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 5.9 t-20 -53.71 -23.19 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 52.53 110.861 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 -31.43 29.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -84.66 -51.24 6.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.913 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.3 mmt -63.91 -14.57 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -27.72 12.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.891 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 -27.87 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.873 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -102.67 7.81 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.6 p -51.47 -25.17 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 34.04 110.878 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.26 -39.5 86.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 65.34 110.908 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -21.25 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.847 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -82.86 -50.77 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.875 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -22.75 46.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.913 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.21 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.067 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -50.19 -36.65 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.87 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.656 ' HA ' HD12 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -47.89 -38.01 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 63.52 110.911 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.43 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -88.99 -21.43 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 74.53 110.886 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.797 HD22 ' CD1' ' A' ' 8' ' ' PHE . 13.8 mt -55.02 -46.86 75.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -37.77 28.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 62.25 110.896 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -87.56 -26.74 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.5 110.915 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.667 HE21 ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -52.77 -54.87 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 70.01 110.958 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.667 ' N ' HE21 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -44.87 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 62.41 110.906 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -53.07 -45.56 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.881 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -51.96 -30.07 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.23 -58.95 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 61.31 111.097 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.19 24.64 8.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.948 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -132.58 69.36 79.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 71.14 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -171.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 61.22 112.317 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.66 -41.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 73.1 112.52 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 pttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 52.42 110.92 179.975 . . . . . . . . 0 0 . 1 stop_ save_