data_2djn_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 2djn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 13' ' ' ILE . 31.2 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' N ' HG22 ' A' ' 12' ' ' THR . 48.4 mm -50.33 -17.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -140.02 144.04 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -70.63 163.93 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -64.66 -38.47 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.44 -46.79 84.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 46' ' ' LEU . 98.0 mt-30 -68.37 -43.15 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 11.1 mt -62.42 -59.13 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.04 -62.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -60.24 -45.74 92.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.3 mt -53.7 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.32 -40.09 64.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.03 -24.88 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -90.85 -36.33 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.32 -48.99 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -49.07 -34.63 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -70.21 -43.01 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -160.2 145.13 14.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -77.01 -32.89 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.29 144.9 31.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 18.2 mt -124.49 128.35 48.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.78 -177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -59.94 -60.06 11.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.78 -16.32 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.91 -46.61 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.4 ttp-105 -68.57 -35.1 76.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.85 -28.65 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.24 -41.76 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 32' ' ' LEU . 8.6 mt -69.47 -39.14 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -70.61 -36.07 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.77 -32.52 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -82.89 -59.89 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 14.3 mt -66.97 -15.9 64.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 15.94 61.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.1 mt -99.44 179.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -111.89 158.82 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -55.56 -29.47 59.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -89.72 -50.95 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 t -64.18 -22.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -74.77 -52.12 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.83 -30.27 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.0 t90 -68.39 -43.28 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 7.5 m-85 -71.09 -35.39 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.71 -57.35 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -50.49 -54.71 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -43.52 -55.5 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 13' ' ' ILE . 59.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' N ' HG23 ' A' ' 12' ' ' THR . 62.8 mt -48.79 -18.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.84 149.0 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -75.95 161.15 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 p -60.01 -44.28 94.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 9.0 t80 -60.25 -58.27 9.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' CD2' ' A' ' 46' ' ' LEU . 60.3 mt-30 -55.39 -40.47 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 9.4 mt -64.97 -59.38 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.33 -54.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -68.9 -44.17 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 17.5 mt -50.8 -61.64 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.58 -43.59 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -52.42 -33.84 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -87.99 -35.42 17.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 40.9 t80 -64.11 -40.93 97.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.49 -34.76 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -69.47 -47.09 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 t -150.23 133.17 16.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.02 -32.59 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.14 129.83 56.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 18.1 mt -107.84 132.19 53.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.76 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -55.83 -60.24 9.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -29.09 24.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -42.86 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 52' ' ' LYS . 23.8 ttm180 -67.71 -38.61 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.28 92.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.39 -41.98 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -70.96 -24.56 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.47 -43.42 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.6 m -76.05 -61.01 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 11.6 mt -64.96 -9.58 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.11 78.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 7.0 mt -99.05 -179.84 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 12.9 t -113.97 152.36 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -49.29 -44.38 43.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -59.26 -22.6 61.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 7.3 mt-30 -89.48 -56.21 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.76 -23.83 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' CG ' ' HD3' ' A' ' 37' ' ' ARG . 52.0 mtpt -72.87 -50.96 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.28 -41.92 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.691 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 32.7 t90 -53.27 -40.54 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.3 m-85 -74.28 -36.2 63.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -66.34 -45.62 79.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.39 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.691 ' CE ' ' CZ2' ' A' ' 54' ' ' TRP . 1.4 tppt? -38.62 -59.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 13' ' ' ILE . 28.2 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.762 0.315 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.462 ' N ' HG22 ' A' ' 12' ' ' THR . 32.4 mm -51.97 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -139.99 148.64 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 t -71.55 152.43 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 p -58.97 -38.45 79.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.85 -41.64 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -72.77 -38.45 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -69.59 -49.09 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.41 -47.2 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.94 -42.87 47.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.9 mt -56.95 -62.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.65 -24.68 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -78.63 -36.6 43.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -77.84 -40.24 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.35 -45.88 55.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -55.09 -47.38 75.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -54.76 -51.31 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 t -157.59 139.88 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -76.42 -22.95 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -117.97 128.09 54.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 24.7 mt -106.79 148.01 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.4 -174.97 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.86 -60.3 9.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -50.65 -42.48 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -69.03 -41.28 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.6 81.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.75 -44.37 48.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.16 -38.12 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -73.58 -21.78 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.79 -38.21 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -82.66 -56.88 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 18.7 mt -65.94 -20.84 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 18.03 56.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.6 mt -100.11 177.34 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -108.64 157.63 18.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -53.51 -31.27 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -74.22 -18.95 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -89.85 -54.43 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 t -60.4 -26.51 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -71.22 -57.24 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.07 -36.81 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.426 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.4 t90 -60.54 -49.62 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.6 m-85 -66.37 -41.76 88.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -48.94 76.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -57.23 -54.0 51.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -47.58 -48.1 28.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 13' ' ' ILE . 47.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 HG22 ' CE1' ' A' ' 14' ' ' TYR . 43.7 mt -51.02 -18.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' A' ' 13' ' ' ILE . 38.7 m-85 -139.99 147.73 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 t -69.99 154.45 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -55.83 -36.59 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -66.55 -49.51 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' OE1' ' CD2' ' A' ' 46' ' ' LEU . 81.5 mt-30 -64.81 -35.55 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ALA . 12.6 mt -71.99 -54.69 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.78 -46.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -75.97 -50.26 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 mt -49.84 -59.04 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.93 -39.79 78.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -64.23 -26.89 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -86.47 -36.06 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -57.28 -44.44 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.33 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -52.14 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -137.22 154.59 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -87.74 -31.86 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 74.6 m-85 -118.4 150.83 38.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 91.7 mt -124.32 142.91 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.64 -178.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.5 tp -59.16 -60.27 11.1 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.72 -27.97 26.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.47 -53.31 36.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -56.65 -40.48 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.65 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.63 -42.62 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 32' ' ' LEU . 9.0 mt -68.25 -39.75 82.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -66.78 -43.03 85.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.67 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.9 m -73.84 -60.29 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 21' ' ' ALA . 18.7 mt -67.47 -12.98 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.76 16.79 67.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 4.7 mt -101.65 177.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.425 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 7.7 t -107.12 161.12 15.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -57.59 -25.45 60.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -81.67 -12.97 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 22.2 mt-30 -96.14 -42.8 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.63 -20.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -74.58 -48.13 28.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -67.36 -42.54 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 40.4 t90 -55.17 -46.13 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 9.1 m-85 -68.92 -54.21 16.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -46.63 -63.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -49.83 -48.08 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 9.7 tptt -49.28 -45.66 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.5 mtp-105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 13' ' ' ILE . 48.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.465 ' N ' HG22 ' A' ' 12' ' ' THR . 41.5 mm -48.83 -18.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -140.01 147.14 39.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.7 m -74.01 152.62 39.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -53.82 -39.27 65.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -62.5 -49.16 76.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' HD22 ' A' ' 46' ' ' LEU . 94.1 mt-30 -66.73 -38.14 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.1 mt -67.41 -58.51 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.02 -52.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -49.08 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 15.3 mt -48.62 -62.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -54.32 -44.83 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -49.19 -33.86 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -83.39 -41.76 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -46.94 -46.14 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -65.56 -39.31 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.67 -52.22 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.95 137.02 14.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -66.5 -31.73 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.42 151.22 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 13.1 mt -125.51 140.19 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 174.9 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -55.64 -60.29 8.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.79 -25.31 28.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 2.213 . . . . 0.0 112.384 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.27 -43.1 74.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -67.75 -40.26 84.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.91 71.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.4 -45.23 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.7 -35.55 80.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -72.93 -28.63 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.67 -44.35 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -72.74 -57.34 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 17.6 mt -67.9 -12.78 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 24.14 64.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.6 mt -106.28 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.44 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 7.3 t -108.16 158.52 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -55.1 -29.48 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 m -73.41 -16.84 61.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 21.5 mt-30 -93.56 -48.93 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -69.12 -24.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.27 -47.44 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.9 mt -69.09 -45.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.424 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 43.1 t90 -50.5 -39.61 49.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 9.4 m-85 -77.09 -43.91 32.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.48 -59.45 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' LYS . 2.2 m-80 -51.08 -61.46 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.6 tptp -36.01 -48.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 13' ' ' ILE . 56.1 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.46 ' N ' HG21 ' A' ' 12' ' ' THR . 5.4 mp -48.84 -18.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.413 ' CE1' HG23 ' A' ' 13' ' ' ILE . 48.1 m-85 -139.98 142.46 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -66.63 144.97 56.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 p -49.81 -47.19 51.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.62 -43.38 93.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.09 -38.09 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 20' ' ' ALA . 11.7 mt -68.57 -55.89 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.67 -50.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.32 -50.54 31.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 54' ' ' TRP . 24.4 mt -47.9 -58.56 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.86 -38.34 75.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -55.68 -48.8 74.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -72.58 -43.3 63.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.8 t80 -42.49 -49.0 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -58.34 -48.06 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.41 -58.68 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -152.01 138.92 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.62 -33.98 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -106.01 143.39 34.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 94.6 mt -124.22 138.67 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 169.72 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -43.88 -60.29 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -40.49 5.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 54.8 mm-40 -51.79 -44.95 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -67.97 -46.28 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.33 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.84 -49.21 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.2 mt -63.17 -34.27 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -71.16 -39.88 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.2 36.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.2 m -84.16 -56.37 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 21' ' ' ALA . 24.5 mt -74.28 -10.69 59.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.98 15.62 69.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.7 mt -101.05 175.28 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.437 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 10.3 t -106.56 161.06 14.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -54.63 -32.28 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 m -72.49 -17.77 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.437 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 8.7 mt-30 -91.01 -53.95 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 t -61.99 -25.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -70.79 -56.42 6.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.03 -39.72 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CD1' HD12 ' A' ' 22' ' ' LEU . 58.9 t90 -56.25 -51.97 66.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 10.2 m-85 -64.59 -48.56 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -53.47 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -52.33 -32.21 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 22.1 mmtt -70.62 -45.39 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' ILE . 39.9 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.721 0.295 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' THR . 42.3 mm -50.57 -17.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -139.43 131.28 27.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.1 m -59.04 147.87 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.4 p -53.68 -28.51 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -74.43 -42.69 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.08 -33.01 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -74.99 -56.08 5.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.88 -40.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -83.69 -48.11 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 38.7 mt -50.45 -54.5 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.8 -46.02 92.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -53.22 -26.64 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.434 ' CG ' HD22 ' A' ' 32' ' ' LEU . 16.3 tpp180 -89.8 -40.98 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.45 -54.8 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.79 -45.59 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -56.08 -55.54 31.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -143.03 130.14 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.53 -33.89 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -115.39 149.47 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.574 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 97.3 mt -117.59 137.22 52.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 164.38 12.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -49.73 -60.34 5.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -17.53 37.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.98 -56.73 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CD ' ' HG3' ' A' ' 52' ' ' LYS . 3.8 ttm105 -59.16 -38.37 79.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.69 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.78 -47.72 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 32' ' ' LEU . 9.6 mt -55.87 -39.99 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.86 75.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 -21.82 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -91.65 -58.53 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -69.85 -5.56 26.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.25 79.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' NE2' ' A' ' 50' ' ' GLN . 5.7 mt -100.66 -179.68 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 14.6 t -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.43 -25.23 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -80.09 -10.63 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 8.9 mt-30 -95.97 -49.95 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 37' ' ' ARG . 79.5 t -66.8 -23.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 6.3 mtpm? -70.84 -57.9 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mt -57.74 -47.2 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.472 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 47.6 t90 -49.51 -47.52 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.574 ' CZ ' ' CD1' ' A' ' 32' ' ' LEU . 9.4 m-85 -70.56 -39.43 73.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.424 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 39.2 tt0 -61.99 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -48.35 -48.42 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -51.88 -54.2 31.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 56' ' ' GLN . 24.9 mtm105 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 13' ' ' ILE . 32.6 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 12' ' ' THR . 4.9 mp -56.01 -16.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -139.69 136.94 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -61.75 149.52 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 p -52.82 -40.82 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.9 -48.13 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.96 -36.21 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.52 -50.93 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.5 -36.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -86.73 -46.07 10.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -52.3 -50.46 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.68 -28.28 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -71.63 -38.29 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -80.97 -34.84 32.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.9 t80 -57.02 -53.85 53.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -55.59 -42.76 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -59.57 -55.04 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -150.13 137.77 19.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -74.3 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.57 141.61 36.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 41.3 mt -122.45 138.83 54.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -66.16 175.58 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -51.75 -60.37 6.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.7 -29.96 23.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 6.0 mm-40 -62.72 -48.11 80.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -64.19 -40.94 97.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.32 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.42 -38.6 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.17 -38.18 66.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -70.37 -30.48 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.48 -44.29 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.2 t -69.3 -51.95 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 21' ' ' ALA . 19.9 mt -75.57 -23.37 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.5 16.0 51.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.0 mt -99.49 179.04 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.424 ' HG1' ' N ' ' A' ' 48' ' ' GLN . 10.1 t -109.06 151.97 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' N ' ' HG1' ' A' ' 47' ' ' THR . 50.9 mt-30 -50.62 -34.93 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.84 -28.28 68.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -86.36 -47.54 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.45 -25.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.53 -55.19 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.2 -40.1 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 14.8 t90 -56.26 -40.08 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 9.0 m-85 -77.61 -47.45 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.69 -65.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -49.33 -30.34 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 8.5 mmtm -68.06 -45.11 74.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 59' ' ' ARG . 9.6 mtp-105 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 13' ' ' ILE . 50.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.754 0.311 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' N ' HG21 ' A' ' 12' ' ' THR . 41.1 mm -48.64 -18.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -139.99 142.59 36.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -65.67 152.72 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.3 p -55.62 -36.74 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.91 -44.57 84.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' NE2' HD21 ' A' ' 46' ' ' LEU . 97.5 mt-30 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.86 -53.16 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.31 -51.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -50.24 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 16.7 mt -47.93 -61.06 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -54.48 -48.22 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -47.86 -44.36 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -75.67 -40.2 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 15.9 t80 -50.68 -54.97 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -53.42 -49.9 66.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -55.23 -56.1 23.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -146.74 143.11 28.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.85 -31.54 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -106.59 127.82 53.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 78.0 mt -110.54 144.71 38.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.34 173.28 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -51.93 -60.22 6.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.554 0.692 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.74 -18.38 37.16 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -76.63 -51.59 11.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 7.5 ttp-105 -58.18 -37.49 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.39 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -39.67 -45.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.8 -43.77 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -72.65 -18.0 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.84 -26.16 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -91.99 -53.44 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 13.5 mt -72.04 -17.31 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.24 22.36 48.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD21 ' NE2' ' A' ' 18' ' ' GLN . 5.2 mt -105.59 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 2.2 t -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.27 -28.44 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -75.57 -19.7 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 17.4 mt-30 -90.3 -50.05 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.0 -23.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -73.13 -55.66 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.08 -30.11 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -67.3 -51.5 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 9.8 m-85 -64.37 -40.69 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.83 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -49.93 -35.6 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.0 mmmt -69.58 -44.4 70.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 59' ' ' ARG . 7.8 mtp-105 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 13' ' ' ILE . 29.7 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.508 HG22 ' CE1' ' A' ' 14' ' ' TYR . 39.0 mt -52.82 -17.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' ' 13' ' ' ILE . 37.6 m-85 -140.0 145.02 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 t -67.89 151.15 47.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -56.42 -36.31 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 t80 -68.59 -51.17 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' NE2' ' CD2' ' A' ' 46' ' ' LEU . 97.6 mt-30 -60.8 -34.8 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 20.0 mt -72.45 -53.08 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.82 -38.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -84.8 -41.91 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' LEU . 71.4 mt -58.09 -57.77 11.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.7 -43.19 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -69.08 -21.31 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -88.34 -35.06 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.6 -58.04 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -47.73 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -49.86 -46.76 51.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.55 140.1 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -71.17 -34.9 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -119.7 131.72 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 71.7 mt -103.96 142.78 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.42 -176.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -58.47 -60.32 10.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.73 -11.97 31.99 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 38.8 mm-40 -83.13 -46.33 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.59 -39.25 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.43 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.05 -45.36 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 32' ' ' LEU . 15.9 mt -66.98 -33.4 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -79.41 -31.35 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.12 -25.47 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -90.94 -55.48 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 21' ' ' ALA . 22.5 mt -71.99 -15.6 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.73 56.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.4 mt -100.62 -179.64 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -112.96 156.3 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 40.5 mt-30 -54.21 -28.4 40.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -74.97 -19.91 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -91.4 -49.94 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.07 -25.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 23.1 mtpp -69.27 -51.51 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.63 -33.35 61.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.427 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 54.7 t90 -65.3 -47.09 77.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 10.9 m-85 -71.52 -32.36 68.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -70.91 -43.35 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -71.08 -44.65 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -54.89 -42.4 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 13' ' ' ILE . 57.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' N ' HG22 ' A' ' 12' ' ' THR . 45.8 mt -45.84 -20.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD1' HG21 ' A' ' 13' ' ' ILE . 45.8 m-85 -138.62 149.49 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -75.51 155.19 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 p -60.57 -35.04 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.48 -43.17 86.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.95 -47.68 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' ALA . 12.4 mt -56.82 -55.15 38.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.31 -65.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 mt -53.84 -65.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -48.72 -43.86 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -60.18 -37.81 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -75.53 -39.48 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 9.4 t80 -55.63 -55.71 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -50.08 -50.86 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -50.88 -46.38 60.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -161.37 142.24 11.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -82.24 -32.15 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -100.76 135.74 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 58.7 mt -116.85 151.86 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . -85.41 160.63 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -37.61 -59.56 1.07 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.588 0.709 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.4 Cg_endo -69.72 -39.17 6.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.305 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' OE2' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.77 -47.86 70.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -63.88 -47.11 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.43 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -52.25 -40.43 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.75 -39.7 69.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.95 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.7 t -76.12 -48.88 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.36 2.09 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.4 21.5 70.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.46 -179.72 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 3.9 t -112.5 150.91 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -51.98 -32.76 34.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -69.67 -23.48 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt-30 -89.69 -52.57 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.96 -23.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -72.37 -55.33 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.92 -40.33 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 29.5 t90 -57.03 -42.19 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 7.5 m-85 -72.89 -47.06 49.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.69 -63.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.77 -31.5 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 26' ' ' PHE . 6.6 mmmt -68.63 -48.73 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG23 ' CE1' ' A' ' 14' ' ' TYR . 14.5 mt -56.63 -15.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CE1' HG23 ' A' ' 13' ' ' ILE . 28.6 m-85 -140.07 139.47 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -60.36 158.91 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -61.62 -36.62 81.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.72 -36.87 83.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.47 -47.79 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.08 -50.92 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.92 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.51 -62.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.74 -45.19 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.62 -45.05 57.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -74.8 -38.26 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 30.6 t80 -49.41 -42.19 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -66.68 -55.4 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -48.88 -49.29 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -155.71 129.26 8.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -77.56 -26.75 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' A' ' 59' ' ' ARG . 27.1 m-85 -107.31 109.64 21.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 14.4 mt -91.78 142.25 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.9 177.74 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -57.98 -59.07 14.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.75 -24.18 30.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.43 -42.99 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.19 -44.75 96.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.3 80.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -45.23 -49.85 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 12.5 mt -62.31 -28.42 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -86.96 -14.99 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.73 -30.92 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -91.92 -53.03 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.86 -21.61 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.9 16.94 55.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.0 mt -103.31 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -114.47 146.61 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -43.21 -40.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.0 m -55.89 -36.35 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.0 -49.82 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.19 -23.91 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -70.47 -47.08 62.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -70.45 -40.9 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 16.5 t90 -55.17 -34.37 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.2 m-85 -85.93 -28.56 24.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -72.64 -65.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.5 -29.22 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 10.3 mmmt -69.86 -46.28 65.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 13.8 mtm105 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 13' ' ' ILE . 42.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' N ' HG22 ' A' ' 12' ' ' THR . 4.9 mp -54.46 -18.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -136.9 142.33 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -62.41 139.74 58.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 p -44.63 -38.49 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.3 t80 -65.54 -54.17 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' NE2' ' CD2' ' A' ' 46' ' ' LEU . 92.9 mt-30 -57.2 -36.47 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 14.3 mt -71.5 -58.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.21 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -86.61 -43.64 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 51.5 mt -59.06 -54.35 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.41 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -62.66 -39.53 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 60.7 t80 -56.0 -45.9 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.36 -45.55 69.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -56.7 -52.79 63.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -149.07 143.49 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.46 -34.83 65.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -116.05 138.23 51.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 43.2 mt -105.25 161.31 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.63 -175.48 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -61.4 -60.11 11.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -31.16 21.01 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.91 -53.76 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 37' ' ' ARG . 6.7 ttp-105 -53.65 -53.53 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.31 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.94 -41.55 92.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 11.6 mt -70.43 -33.51 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -74.89 -38.71 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.45 -40.42 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.2 t -73.22 -62.38 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -65.87 -14.52 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.27 50.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.9 mt -107.45 -179.61 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.429 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 4.3 t -113.68 152.25 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.46 -44.37 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 m -57.98 -25.12 60.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 3.3 mt-30 -88.12 -54.43 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -60.58 -25.58 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -72.55 -58.59 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.16 -34.17 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.57 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.6 t90 -63.1 -61.93 2.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.5 m-85 -51.63 -31.78 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.56 -36.67 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.51 -60.48 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tppp? -42.33 -55.84 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 12.5 mtp-105 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 13' ' ' ILE . 86.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' HG23 ' A' ' 12' ' ' THR . 5.3 mp -46.92 -20.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE1' HG23 ' A' ' 13' ' ' ILE . 45.2 m-85 -137.17 142.59 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -66.13 148.65 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -52.1 -45.17 64.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -58.48 -48.93 79.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' NE2' HD23 ' A' ' 46' ' ' LEU . 91.8 mt-30 -62.19 -45.88 91.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 12.4 mt -61.36 -56.47 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.86 -52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -68.29 -44.99 74.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 38.7 mt -53.96 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -51.32 -44.41 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -52.81 -37.22 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -80.47 -48.09 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE1' ' OE1' ' A' ' 30' ' ' GLN . 9.9 t80 -44.57 -54.03 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 28' ' ' LYS . 8.9 pt20 -51.15 -34.18 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tmtm? -73.63 -48.39 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -162.59 153.23 16.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 30.5 mm-40 -98.4 -27.05 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -104.63 93.24 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 45.6 mt -79.39 146.89 32.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.03 176.87 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 tp -54.97 -59.97 9.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.8 -20.69 34.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 14.6 mm-40 -73.36 -54.54 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.2 ttp-105 -54.07 -45.99 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.14 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.02 -43.59 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt -70.96 -30.49 66.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.98 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.42 -34.36 20.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -77.8 -50.07 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 21' ' ' ALA . 21.5 mt -81.01 -8.39 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 22.23 69.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD23 ' NE2' ' A' ' 18' ' ' GLN . 6.8 mt -103.39 -179.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 14.7 t -112.47 157.66 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -53.63 -32.53 51.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.4 m -73.06 -18.47 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 19.0 mt-30 -91.3 -53.93 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.86 -24.74 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -70.65 -55.22 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.38 -38.75 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 22' ' ' LEU . 74.1 t90 -57.38 -46.55 83.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 8.9 m-85 -70.02 -38.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -62.63 -60.55 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.7 -55.29 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.3 OUTLIER -43.36 -53.53 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.4 mtp-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 13' ' ' ILE . 91.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 12' ' ' THR . 76.3 mt -46.98 -20.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CD1' HG23 ' A' ' 13' ' ' ILE . 47.2 m-85 -140.05 137.66 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -62.26 150.16 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 p -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.4 t80 -66.17 -39.14 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' HD22 ' A' ' 46' ' ' LEU . 92.4 mt-30 -74.32 -32.3 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.1 mt -72.87 -59.26 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.9 -50.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.455 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -69.58 -50.6 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 41.5 mt -50.67 -57.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.61 -48.72 78.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -49.14 -41.79 37.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -78.8 -40.28 33.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 19.2 t80 -57.56 -52.29 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -54.0 -26.11 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -80.31 -53.24 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -142.47 134.8 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 12.7 mp0 -77.78 -27.97 50.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -108.87 136.62 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 97.0 mt -118.81 135.37 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.08 -177.3 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -57.46 -60.25 10.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.78 -28.33 25.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -48.53 61.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.3 ttp-105 -65.12 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.51 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.89 -37.07 86.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -76.51 -21.28 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.44 -30.02 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -88.9 -52.83 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 28.6 mt -69.71 -21.83 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 13.86 58.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 4.6 mt -100.23 178.95 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -109.65 158.51 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -54.74 -24.5 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -75.93 -21.26 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -92.24 -43.77 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.56 -20.92 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -75.48 -48.3 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.34 -40.23 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.542 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 25.0 t90 -56.74 -43.8 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 10.6 m-85 -72.9 -52.95 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -53.81 -54.71 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -56.51 -38.43 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 21.5 mmtt -61.09 -54.21 47.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.441 ' NE ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 13' ' ' ILE . 79.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 ' N ' HG23 ' A' ' 12' ' ' THR . 39.1 mm -47.94 -19.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' CE1' HG22 ' A' ' 13' ' ' ILE . 32.0 m-85 -137.22 152.49 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -73.05 134.95 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -40.92 -50.46 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -52.04 -52.62 49.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.55 -51.69 67.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.8 -50.71 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.66 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.37 68.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.511 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 23.7 mt -47.96 -63.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -49.14 -49.73 40.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.45 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -73.59 -37.42 65.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.45 -58.22 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -35.79 77.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -67.47 -26.79 66.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' NH2' ' A' ' 25' ' ' ARG . 14.5 t -164.94 135.68 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.66 -25.41 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -124.11 137.99 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 93.5 mt -116.06 136.13 53.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.42 -178.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -54.95 -60.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -30.94 21.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 73.9 mm-40 -60.73 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.91 -44.5 96.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.3 -36.8 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -43.06 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -38.02 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -27.19 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.31 -35.47 16.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -81.93 -55.34 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 33.4 mt -70.11 -15.02 62.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.98 16.47 69.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -99.22 -179.6 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.393 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.455 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 15.3 t -112.29 154.96 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -51.56 -38.53 54.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 m -65.95 -20.69 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 12.7 mt-30 -91.73 -51.45 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.15 -22.54 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -72.55 -52.47 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.8 -39.43 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.55 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.2 t90 -57.03 -45.53 83.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 9.0 m-85 -71.08 -38.23 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -59.17 -55.74 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.51 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 5.9 tppt? -46.39 -50.16 16.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 59' ' ' ARG . 9.4 mtp-105 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 13' ' ' ILE . 55.5 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.456 ' N ' HG21 ' A' ' 12' ' ' THR . 45.7 mm -46.44 -20.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -140.0 141.4 36.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -64.94 145.29 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 p -49.45 -50.24 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -56.18 -48.84 75.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -61.15 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.7 mt -62.71 -55.7 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.9 -52.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.46 -50.42 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 24.2 mt -45.78 -59.39 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -58.28 -46.48 85.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -52.59 -35.14 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -73.99 -48.06 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -52.35 -43.84 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -49.39 -43.89 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -62.96 -48.0 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.0 t -151.06 144.75 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.92 -30.67 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -110.52 157.32 19.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 mt -129.52 131.94 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 178.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -57.83 -60.14 10.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -12.28 32.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.19 -46.76 13.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 9.9 ttp-105 -62.6 -49.94 73.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.14 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.76 -49.24 71.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.2 -36.71 85.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -73.07 -30.08 63.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.12 -24.79 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -88.77 -57.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 29.2 mt -70.78 -19.27 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.63 19.96 39.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.9 mt -101.81 176.82 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 5.6 t -106.11 155.87 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.46 -26.35 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -76.75 -19.92 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 8.1 mt-30 -87.82 -53.19 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 t -60.78 -27.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -70.19 -61.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 ' ND2' ' A' ' 57' ' ' ASN . 59.8 mt -53.42 -29.73 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 36.2 t90 -69.02 -53.08 22.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -65.83 -36.7 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.18 -55.99 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.439 ' ND2' HG21 ' A' ' 53' ' ' ILE . 2.5 m-80 -52.64 -47.63 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tppt? -54.28 -54.82 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 13' ' ' ILE . 61.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 12' ' ' THR . 4.6 mm -44.4 -21.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE1' HG21 ' A' ' 13' ' ' ILE . 43.2 m-85 -140.07 151.87 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -76.85 156.95 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -57.47 -35.65 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.92 -50.29 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.13 -38.37 88.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -68.62 -57.37 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.11 -38.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.89 -41.62 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' LEU . 37.7 mt -60.5 -55.93 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.25 -30.7 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -69.22 -37.63 78.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -79.7 -38.62 33.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 10.9 t80 -45.54 -57.15 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -54.92 -40.23 69.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.49 -46.81 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -163.08 126.57 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.87 -29.24 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -109.77 130.18 55.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.2 mt -111.27 139.38 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.51 -178.74 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -56.3 -60.27 9.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.738 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.78 -27.31 26.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -66.22 -37.39 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 3.7 ttp-105 -69.83 -56.49 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -28.43 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -57.31 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.18 -39.95 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -68.24 -22.38 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.17 -45.29 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -74.55 -57.2 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.34 -14.79 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.15 70.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.2 mt -102.03 176.6 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.456 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 14.8 t -103.91 160.41 14.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -58.82 -16.81 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 m -89.96 -11.91 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 16.1 mt-30 -94.96 -43.84 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.19 -20.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -75.32 -48.29 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 -35.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 25.1 t90 -62.38 -48.23 80.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.99 -38.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.44 -62.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.08 -24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 7.6 mmmt -75.29 -48.0 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 13' ' ' ILE . 46.5 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.731 0.301 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.446 ' N ' HG21 ' A' ' 12' ' ' THR . 56.9 mt -48.43 -18.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' CD1' HG21 ' A' ' 13' ' ' ILE . 42.9 m-85 -140.1 139.54 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -67.0 152.63 45.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -53.71 -40.16 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.03 -48.84 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.89 -36.9 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.6 mt -69.1 -61.17 1.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.98 -43.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.58 -48.88 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 28.3 mt -49.81 -58.95 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -56.29 -42.05 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -50.02 -49.55 50.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -74.47 -40.25 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.5 t80 -53.99 -57.75 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -46.79 -47.89 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -153.72 137.37 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 26' ' ' PHE . 7.1 mm100 -82.05 -16.68 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.47 133.93 55.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.2 mt -119.22 142.22 48.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.28 -175.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -60.53 -60.37 10.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.69 -27.67 26.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.04 -47.42 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.4 ttp-105 -62.38 -46.67 87.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.33 70.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -55.15 -47.19 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.43 -35.84 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.93 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.7 m -82.63 -57.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 23.4 mt -74.02 -9.41 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.8 26.88 55.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.25 176.97 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.447 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 5.7 t -106.04 158.01 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -54.96 -33.0 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -72.84 -13.6 61.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 20.1 mt-30 -94.8 -50.45 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.77 -21.85 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -73.74 -54.28 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.64 -37.91 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 44.2 t90 -59.7 -47.87 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -69.22 -22.24 63.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -79.73 -56.47 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.4 -27.98 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.9 mmtt -71.5 -43.37 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.771 0.319 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mp -52.23 -16.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -137.89 136.76 37.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 m -62.69 155.08 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 p -56.06 -47.44 77.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.46 -36.54 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' NE2' ' CD2' ' A' ' 46' ' ' LEU . 84.8 mt-30 -76.28 -38.66 55.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 11.0 mt -68.88 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.08 -56.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.19 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 12.2 mt -48.86 -63.06 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.94 -45.51 74.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -48.97 -36.56 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -76.78 -42.16 41.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -55.1 -38.69 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.7 -45.24 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -60.17 -53.86 52.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -147.56 148.06 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -80.47 -31.94 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.07 145.64 35.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 mt -121.98 138.83 54.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -71.08 177.28 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.75 -60.31 9.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 52.7 Cg_endo -69.84 -21.13 33.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -71.11 -48.9 49.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -61.85 -45.29 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.71 -46.62 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.14 -52.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.68 -42.15 74.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -69.81 -23.96 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.78 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 m -84.96 -53.17 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 24.0 mt -69.87 -6.16 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.44 16.0 75.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' CD2' ' NE2' ' A' ' 18' ' ' GLN . 6.1 mt -100.31 179.44 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -111.94 156.5 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -50.34 -41.71 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 m -61.07 -22.07 64.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -91.47 -49.22 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.61 -22.25 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.61 -43.57 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -72.0 -39.4 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 16.2 t90 -56.88 -36.27 69.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -80.98 -45.58 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -55.36 -58.63 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -52.75 -57.16 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 5.1 tptp -40.37 -51.72 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -125.42 -61.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -93.15 -55.26 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.82 110.5 1.15 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -75.36 87.68 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.823 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -126.77 154.37 44.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.68 151.18 6.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 19.2 ttp-105 -129.41 122.57 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -150.03 145.07 18.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.58 26.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' THR . 17.3 tpt180 -82.01 90.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 13' ' ' ILE . 31.2 m -34.46 151.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' N ' HG22 ' A' ' 12' ' ' THR . 48.4 mm -50.33 -17.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -140.02 144.04 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -70.63 163.93 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -64.66 -38.47 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.44 -46.79 84.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 46' ' ' LEU . 98.0 mt-30 -68.37 -43.15 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 11.1 mt -62.42 -59.13 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.04 -62.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -60.24 -45.74 92.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.3 mt -53.7 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.32 -40.09 64.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.03 -24.88 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -90.85 -36.33 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.32 -48.99 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -49.07 -34.63 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -70.21 -43.01 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -160.2 145.13 14.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -77.01 -32.89 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.29 144.9 31.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 18.2 mt -124.49 128.35 48.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.78 -177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -59.94 -60.06 11.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.78 -16.32 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.91 -46.61 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.4 ttp-105 -68.57 -35.1 76.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.85 -28.65 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.24 -41.76 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 32' ' ' LEU . 8.6 mt -69.47 -39.14 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -70.61 -36.07 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.77 -32.52 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -82.89 -59.89 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 14.3 mt -66.97 -15.9 64.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 15.94 61.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.1 mt -99.44 179.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -111.89 158.82 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -55.56 -29.47 59.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -89.72 -50.95 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 t -64.18 -22.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -74.77 -52.12 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.83 -30.27 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.0 t90 -68.39 -43.28 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 7.5 m-85 -71.09 -35.39 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.71 -57.35 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -50.49 -54.71 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -43.52 -55.5 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -41.92 -37.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t -77.33 -35.16 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' LYS . 19.5 mmtp -109.44 45.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 63' ' ' LYS . 15.4 mm -71.4 107.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -35.42 -35.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -74.03 132.19 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.41 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 2.6 t -90.64 142.72 27.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.93 -76.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.528 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -30.53 22.37 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 145.56 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.5 p -75.33 178.28 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -102.3 42.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p 39.75 41.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.88 131.87 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -142.9 155.83 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -110.66 -62.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.08 -127.37 7.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.48 154.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.75 145.36 2.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.38 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -120.4 142.39 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 13' ' ' ILE . 59.7 m -61.34 158.56 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' N ' HG23 ' A' ' 12' ' ' THR . 62.8 mt -48.79 -18.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.84 149.0 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -75.95 161.15 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 p -60.01 -44.28 94.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 9.0 t80 -60.25 -58.27 9.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' CD2' ' A' ' 46' ' ' LEU . 60.3 mt-30 -55.39 -40.47 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 9.4 mt -64.97 -59.38 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.33 -54.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -68.9 -44.17 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 17.5 mt -50.8 -61.64 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.58 -43.59 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -52.42 -33.84 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -87.99 -35.42 17.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 40.9 t80 -64.11 -40.93 97.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.49 -34.76 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -69.47 -47.09 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 t -150.23 133.17 16.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.02 -32.59 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.14 129.83 56.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 18.1 mt -107.84 132.19 53.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.76 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -55.83 -60.24 9.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -29.09 24.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -42.86 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 52' ' ' LYS . 23.8 ttm180 -67.71 -38.61 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.28 92.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.39 -41.98 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -70.96 -24.56 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.47 -43.42 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.6 m -76.05 -61.01 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 11.6 mt -64.96 -9.58 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.11 78.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 7.0 mt -99.05 -179.84 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 12.9 t -113.97 152.36 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -49.29 -44.38 43.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -59.26 -22.6 61.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 7.3 mt-30 -89.48 -56.21 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.76 -23.83 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' CG ' ' HD3' ' A' ' 37' ' ' ARG . 52.0 mtpt -72.87 -50.96 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.28 -41.92 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.691 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 32.7 t90 -53.27 -40.54 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.3 m-85 -74.28 -36.2 63.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -66.34 -45.62 79.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.39 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.691 ' CE ' ' CZ2' ' A' ' 54' ' ' TRP . 1.4 tppt? -38.62 -59.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -38.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -66.78 -39.13 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 6.7 mmpt? -74.56 -5.09 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 mt -90.5 115.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? 74.26 44.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 65' ' ' SER . 15.4 ttpp -87.5 154.17 20.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 89.4 p -58.07 100.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.2 82.64 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.323 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' PRO . 21.2 p 37.27 42.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.5 p -76.9 83.53 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 t -72.36 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -173.66 176.57 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.49 105.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -172.6 140.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -129.37 105.08 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.97 -150.02 8.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -102.15 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptpp? -121.05 152.76 57.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.517 0.675 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.03 13.26 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 65.67 49.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 13' ' ' ILE . 28.2 m -139.98 151.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.462 ' N ' HG22 ' A' ' 12' ' ' THR . 32.4 mm -51.97 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -139.99 148.64 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 t -71.55 152.43 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 p -58.97 -38.45 79.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.85 -41.64 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -72.77 -38.45 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.1 mt -69.59 -49.09 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.41 -47.2 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.94 -42.87 47.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.9 mt -56.95 -62.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.65 -24.68 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -78.63 -36.6 43.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -77.84 -40.24 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.35 -45.88 55.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -55.09 -47.38 75.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -54.76 -51.31 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 t -157.59 139.88 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -76.42 -22.95 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -117.97 128.09 54.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 24.7 mt -106.79 148.01 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.4 -174.97 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.86 -60.3 9.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -50.65 -42.48 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -69.03 -41.28 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.6 81.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.75 -44.37 48.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.16 -38.12 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -73.58 -21.78 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.79 -38.21 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -82.66 -56.88 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 18.7 mt -65.94 -20.84 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 18.03 56.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.6 mt -100.11 177.34 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -108.64 157.63 18.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -53.51 -31.27 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -74.22 -18.95 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -89.85 -54.43 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 t -60.4 -26.51 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -71.22 -57.24 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.07 -36.81 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.426 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.4 t90 -60.54 -49.62 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.6 m-85 -66.37 -41.76 88.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -48.94 76.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -57.23 -54.0 51.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -47.58 -48.1 28.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -45.96 -45.64 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 t -65.32 -24.69 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 51.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.3 148.66 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt 71.76 39.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -95.13 151.58 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -76.61 99.94 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.65 153.91 16.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.445 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -161.47 143.1 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -90.06 -49.5 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -57.89 -44.93 87.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -169.36 145.84 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.71 72.89 0.37 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -130.4 155.61 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -149.07 114.43 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.95 -134.49 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.35 120.62 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -126.6 143.94 48.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -26.57 27.67 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -128.72 126.42 40.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 13' ' ' ILE . 47.4 m -111.3 158.68 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 HG22 ' CE1' ' A' ' 14' ' ' TYR . 43.7 mt -51.02 -18.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' A' ' 13' ' ' ILE . 38.7 m-85 -139.99 147.73 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 t -69.99 154.45 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -55.83 -36.59 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -66.55 -49.51 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' OE1' ' CD2' ' A' ' 46' ' ' LEU . 81.5 mt-30 -64.81 -35.55 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ALA . 12.6 mt -71.99 -54.69 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.78 -46.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -75.97 -50.26 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 mt -49.84 -59.04 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.93 -39.79 78.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -64.23 -26.89 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -86.47 -36.06 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -57.28 -44.44 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.33 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -52.14 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -137.22 154.59 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -87.74 -31.86 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 74.6 m-85 -118.4 150.83 38.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 91.7 mt -124.32 142.91 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.64 -178.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.5 tp -59.16 -60.27 11.1 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.72 -27.97 26.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.47 -53.31 36.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -56.65 -40.48 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.65 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.63 -42.62 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 32' ' ' LEU . 9.0 mt -68.25 -39.75 82.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -66.78 -43.03 85.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.67 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.9 m -73.84 -60.29 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 21' ' ' ALA . 18.7 mt -67.47 -12.98 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.76 16.79 67.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 4.7 mt -101.65 177.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.425 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 7.7 t -107.12 161.12 15.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -57.59 -25.45 60.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -81.67 -12.97 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 22.2 mt-30 -96.14 -42.8 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.63 -20.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -74.58 -48.13 28.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -67.36 -42.54 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 40.4 t90 -55.17 -46.13 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 9.1 m-85 -68.92 -54.21 16.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -46.63 -63.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -49.83 -48.08 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 9.7 tptt -49.28 -45.66 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 8.5 mtp-105 -56.46 -38.48 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -58.5 -42.16 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -30.28 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 97.0 mt -41.06 106.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 137.84 32.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.76 147.6 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -82.79 129.11 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.25 145.63 6.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.2 p -62.68 149.12 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.6 t -105.3 143.63 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -102.27 172.31 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -114.03 153.38 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.73 99.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 28.5 t -65.14 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 64.9 m -35.9 142.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.04 67.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -95.62 92.63 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -147.25 160.42 39.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -11.12 30.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.32 113.94 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 13' ' ' ILE . 48.7 m -76.88 155.98 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.465 ' N ' HG22 ' A' ' 12' ' ' THR . 41.5 mm -48.83 -18.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -140.01 147.14 39.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.7 m -74.01 152.62 39.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -53.82 -39.27 65.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -62.5 -49.16 76.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' HD22 ' A' ' 46' ' ' LEU . 94.1 mt-30 -66.73 -38.14 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.1 mt -67.41 -58.51 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.02 -52.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -49.08 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 15.3 mt -48.62 -62.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -54.32 -44.83 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -49.19 -33.86 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -83.39 -41.76 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -46.94 -46.14 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -65.56 -39.31 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.67 -52.22 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.95 137.02 14.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -66.5 -31.73 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.42 151.22 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 13.1 mt -125.51 140.19 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 174.9 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -55.64 -60.29 8.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.79 -25.31 28.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 2.213 . . . . 0.0 112.384 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.27 -43.1 74.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -67.75 -40.26 84.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.91 71.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.4 -45.23 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.7 -35.55 80.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -72.93 -28.63 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.67 -44.35 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -72.74 -57.34 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 17.6 mt -67.9 -12.78 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 24.14 64.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.6 mt -106.28 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 7.3 t -108.16 158.52 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -55.1 -29.48 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 m -73.41 -16.84 61.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 21.5 mt-30 -93.56 -48.93 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -69.12 -24.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.27 -47.44 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.9 mt -69.09 -45.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.424 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 43.1 t90 -50.5 -39.61 49.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 9.4 m-85 -77.09 -43.91 32.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.48 -59.45 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.2 m-80 -51.08 -61.46 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.6 tptp -36.01 -48.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 23.4 mtp180 -56.24 -44.5 79.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' ASN . 49.6 p -63.1 -32.92 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 6.7 ttpm? -68.94 -33.57 73.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 86.5 mt -40.85 104.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 ptpt -41.12 -41.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.5 mtpm? -61.53 123.77 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -92.72 141.56 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.05 175.58 15.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -159.94 116.99 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 m -126.64 42.07 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.532 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 p -161.59 119.69 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.83 -40.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' SER . 67.7 m -82.03 82.21 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 96.2 p -36.47 -44.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.76 76.18 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -113.09 102.22 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.66 143.99 36.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 149.79 66.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 60.85 46.03 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 13' ' ' ILE . 56.1 m -40.02 157.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' N ' HG21 ' A' ' 12' ' ' THR . 5.4 mp -48.84 -18.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.413 ' CE1' HG23 ' A' ' 13' ' ' ILE . 48.1 m-85 -139.98 142.46 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -66.63 144.97 56.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 p -49.81 -47.19 51.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.62 -43.38 93.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.09 -38.09 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 20' ' ' ALA . 11.7 mt -68.57 -55.89 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.67 -50.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.32 -50.54 31.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 54' ' ' TRP . 24.4 mt -47.9 -58.56 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.86 -38.34 75.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -55.68 -48.8 74.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -72.58 -43.3 63.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.8 t80 -42.49 -49.0 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -58.34 -48.06 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.41 -58.68 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -152.01 138.92 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.62 -33.98 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -106.01 143.39 34.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 94.6 mt -124.22 138.67 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 169.72 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -43.88 -60.29 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -40.49 5.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 54.8 mm-40 -51.79 -44.95 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -67.97 -46.28 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.33 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.84 -49.21 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.2 mt -63.17 -34.27 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -71.16 -39.88 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.2 36.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.2 m -84.16 -56.37 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 21' ' ' ALA . 24.5 mt -74.28 -10.69 59.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.98 15.62 69.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.7 mt -101.05 175.28 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.437 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 10.3 t -106.56 161.06 14.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -54.63 -32.28 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 m -72.49 -17.77 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 8.7 mt-30 -91.01 -53.95 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.4 t -61.99 -25.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -70.79 -56.42 6.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.03 -39.72 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CD1' HD12 ' A' ' 22' ' ' LEU . 58.9 t90 -56.25 -51.97 66.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 10.2 m-85 -64.59 -48.56 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -53.47 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -52.33 -32.21 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 22.1 mmtt -70.62 -45.39 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -47.5 -49.08 26.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.6 t -50.26 -44.24 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -55.68 -35.42 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.7 mt -49.14 98.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -66.56 122.5 17.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -96.39 163.93 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.2 p -82.33 140.09 33.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.17 83.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.39 3.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.5 p -72.42 148.65 44.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 t -96.25 142.65 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 63.63 42.38 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -121.43 112.78 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.55 120.12 5.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -168.04 128.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 p -102.7 178.86 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.65 124.35 7.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.424 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.69 -45.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -49.31 153.65 1.71 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.736 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -41.57 4.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.46 138.72 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' ILE . 39.9 m -70.38 156.38 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' THR . 42.3 mm -50.57 -17.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -139.43 131.28 27.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.1 m -59.04 147.87 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.4 p -53.68 -28.51 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -74.43 -42.69 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.08 -33.01 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -74.99 -56.08 5.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.88 -40.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -83.69 -48.11 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 38.7 mt -50.45 -54.5 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.8 -46.02 92.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -53.22 -26.64 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' CG ' HD22 ' A' ' 32' ' ' LEU . 16.3 tpp180 -89.8 -40.98 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.45 -54.8 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.79 -45.59 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -56.08 -55.54 31.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -143.03 130.14 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.53 -33.89 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -115.39 149.47 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.574 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 97.3 mt -117.59 137.22 52.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 164.38 12.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -49.73 -60.34 5.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -17.53 37.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.98 -56.73 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CD ' ' HG3' ' A' ' 52' ' ' LYS . 3.8 ttm105 -59.16 -38.37 79.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.69 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.78 -47.72 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 32' ' ' LEU . 9.6 mt -55.87 -39.99 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.86 75.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 -21.82 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -91.65 -58.53 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -69.85 -5.56 26.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.25 79.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' NE2' ' A' ' 50' ' ' GLN . 5.7 mt -100.66 -179.68 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 14.6 t -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.43 -25.23 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -80.09 -10.63 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 8.9 mt-30 -95.97 -49.95 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 37' ' ' ARG . 79.5 t -66.8 -23.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 6.3 mtpm? -70.84 -57.9 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mt -57.74 -47.2 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.472 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 47.6 t90 -49.51 -47.52 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.574 ' CZ ' ' CD1' ' A' ' 32' ' ' LEU . 9.4 m-85 -70.56 -39.43 73.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.424 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 39.2 tt0 -61.99 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -48.35 -48.42 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -51.88 -54.2 31.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 24.9 mtm105 -66.32 -16.39 64.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -95.72 -11.77 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -111.36 30.91 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 16.3 mt -88.62 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -40.47 -61.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 156.24 17.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.0 t -61.7 138.78 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.84 174.93 48.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.3 44.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.0 p -118.56 42.52 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 m 44.01 41.71 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -147.74 115.58 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -163.8 165.24 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.93 -161.12 9.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t 51.07 41.61 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -67.73 173.17 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.39 -168.39 48.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -139.53 170.54 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -113.96 154.89 45.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -3.74 12.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -143.83 129.77 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 13' ' ' ILE . 32.6 m -99.32 161.31 13.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 12' ' ' THR . 4.9 mp -56.01 -16.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -139.69 136.94 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -61.75 149.52 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 p -52.82 -40.82 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.9 -48.13 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.96 -36.21 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.52 -50.93 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.5 -36.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -86.73 -46.07 10.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -52.3 -50.46 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.68 -28.28 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -71.63 -38.29 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -80.97 -34.84 32.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.9 t80 -57.02 -53.85 53.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -55.59 -42.76 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -59.57 -55.04 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -150.13 137.77 19.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -74.3 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.57 141.61 36.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 41.3 mt -122.45 138.83 54.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -66.16 175.58 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -51.75 -60.37 6.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.7 -29.96 23.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 6.0 mm-40 -62.72 -48.11 80.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -64.19 -40.94 97.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.32 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.42 -38.6 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.17 -38.18 66.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -70.37 -30.48 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.48 -44.29 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.2 t -69.3 -51.95 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 21' ' ' ALA . 19.9 mt -75.57 -23.37 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.5 16.0 51.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.0 mt -99.49 179.04 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.424 ' HG1' ' N ' ' A' ' 48' ' ' GLN . 10.1 t -109.06 151.97 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' N ' ' HG1' ' A' ' 47' ' ' THR . 50.9 mt-30 -50.62 -34.93 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.84 -28.28 68.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -86.36 -47.54 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.45 -25.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.53 -55.19 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.2 -40.1 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 14.8 t90 -56.26 -40.08 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 9.0 m-85 -77.61 -47.45 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.69 -65.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -49.33 -30.34 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 8.5 mmtm -68.06 -45.11 74.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 59' ' ' ARG . 9.6 mtp-105 -54.77 -48.26 72.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.0 m -56.09 -33.67 65.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -46.43 95.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -66.75 -53.18 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -68.81 173.57 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 m -103.37 155.16 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.82 -94.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.54 28.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -110.44 159.67 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 t -154.73 149.47 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -129.27 41.02 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -74.74 -52.44 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.49 -167.9 12.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -106.77 -49.97 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.392 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 68.44 42.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.53 52.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -61.16 -59.22 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 154.27 44.39 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.07 34.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -126.69 149.38 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 13' ' ' ILE . 50.2 m -73.84 156.07 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' N ' HG21 ' A' ' 12' ' ' THR . 41.1 mm -48.64 -18.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -139.99 142.59 36.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -65.67 152.72 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.3 p -55.62 -36.74 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.91 -44.57 84.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' NE2' HD21 ' A' ' 46' ' ' LEU . 97.5 mt-30 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.86 -53.16 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.31 -51.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -50.24 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 16.7 mt -47.93 -61.06 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -54.48 -48.22 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -47.86 -44.36 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -75.67 -40.2 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 15.9 t80 -50.68 -54.97 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -53.42 -49.9 66.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -55.23 -56.1 23.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -146.74 143.11 28.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.85 -31.54 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -106.59 127.82 53.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 78.0 mt -110.54 144.71 38.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.34 173.28 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -51.93 -60.22 6.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.554 0.692 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.74 -18.38 37.16 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -76.63 -51.59 11.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 7.5 ttp-105 -58.18 -37.49 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.39 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -39.67 -45.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.8 -43.77 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -72.65 -18.0 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.84 -26.16 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -91.99 -53.44 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 13.5 mt -72.04 -17.31 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.24 22.36 48.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD21 ' NE2' ' A' ' 18' ' ' GLN . 5.2 mt -105.59 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 2.2 t -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.27 -28.44 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -75.57 -19.7 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 17.4 mt-30 -90.3 -50.05 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.0 -23.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -73.13 -55.66 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.08 -30.11 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 49.7 t90 -67.3 -51.5 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 9.8 m-85 -64.37 -40.69 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.83 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -49.93 -35.6 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.0 mmmt -69.58 -44.4 70.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 59' ' ' ARG . 7.8 mtp-105 -57.47 -35.36 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -71.58 -10.19 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -103.52 25.26 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 26' ' ' PHE . 4.1 mt -126.05 171.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -78.17 49.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -109.6 132.33 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.5 p -71.23 131.42 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.03 146.21 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.46 19.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -126.54 163.65 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -38.83 -50.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -110.37 131.17 55.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -63.2 -53.54 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.09 -157.82 15.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -73.96 123.21 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -97.37 -58.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.03 175.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 66.1 41.63 3.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -110.45 144.48 30.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.2 66.39 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' THR . 14.9 mmm180 -41.98 122.42 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 13' ' ' ILE . 29.7 m -37.11 155.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.508 HG22 ' CE1' ' A' ' 14' ' ' TYR . 39.0 mt -52.82 -17.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' ' 13' ' ' ILE . 37.6 m-85 -140.0 145.02 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 t -67.89 151.15 47.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -56.42 -36.31 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 t80 -68.59 -51.17 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' NE2' ' CD2' ' A' ' 46' ' ' LEU . 97.6 mt-30 -60.8 -34.8 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 20.0 mt -72.45 -53.08 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.82 -38.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -84.8 -41.91 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' LEU . 71.4 mt -58.09 -57.77 11.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.7 -43.19 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -69.08 -21.31 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -88.34 -35.06 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.6 -58.04 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -47.73 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -49.86 -46.76 51.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.55 140.1 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 62' ' ' ILE . 32.3 mt-30 -71.17 -34.9 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -119.7 131.72 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 71.7 mt -103.96 142.78 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.42 -176.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -58.47 -60.32 10.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.73 -11.97 31.99 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 38.8 mm-40 -83.13 -46.33 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.59 -39.25 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.43 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.05 -45.36 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 32' ' ' LEU . 15.9 mt -66.98 -33.4 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -79.41 -31.35 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.12 -25.47 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -90.94 -55.48 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 21' ' ' ALA . 22.5 mt -71.99 -15.6 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.73 56.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.4 mt -100.62 -179.64 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -112.96 156.3 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 40.5 mt-30 -54.21 -28.4 40.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -74.97 -19.91 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -91.4 -49.94 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.07 -25.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 23.1 mtpp -69.27 -51.51 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.63 -33.35 61.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 54.7 t90 -65.3 -47.09 77.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 10.9 m-85 -71.52 -32.36 68.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -70.91 -43.35 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -71.08 -44.65 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -54.89 -42.4 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -62.03 -36.13 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.5 t -74.82 0.05 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -0.59 15.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.471 ' CD1' ' OE1' ' A' ' 30' ' ' GLN . 76.5 mt -60.26 106.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -41.49 110.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -96.99 161.24 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -86.22 150.15 24.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.19 -157.81 27.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.94 8.48 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.743 2.295 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -41.66 102.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t 42.04 42.83 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -145.78 160.12 42.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.827 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -61.03 133.16 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.71 147.82 20.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -128.69 137.6 51.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -87.73 -43.48 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.59 162.9 12.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -139.6 169.98 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -123.73 147.99 55.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.688 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.29 6.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -57.81 93.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 13' ' ' ILE . 57.1 m -100.52 154.23 18.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' N ' HG22 ' A' ' 12' ' ' THR . 45.8 mt -45.84 -20.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD1' HG21 ' A' ' 13' ' ' ILE . 45.8 m-85 -138.62 149.49 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -75.51 155.19 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 p -60.57 -35.04 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.48 -43.17 86.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.95 -47.68 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' ALA . 12.4 mt -56.82 -55.15 38.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.31 -65.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 mt -53.84 -65.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -48.72 -43.86 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -60.18 -37.81 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -75.53 -39.48 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 9.4 t80 -55.63 -55.71 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -50.08 -50.86 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -50.88 -46.38 60.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -161.37 142.24 11.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -82.24 -32.15 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -100.76 135.74 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 58.7 mt -116.85 151.86 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . -85.41 160.63 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -37.61 -59.56 1.07 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.588 0.709 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.4 Cg_endo -69.72 -39.17 6.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.305 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' OE2' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.77 -47.86 70.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -63.88 -47.11 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.43 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -52.25 -40.43 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.75 -39.7 69.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.95 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.7 t -76.12 -48.88 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.36 2.09 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.4 21.5 70.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.46 -179.72 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 3.9 t -112.5 150.91 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -51.98 -32.76 34.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -69.67 -23.48 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt-30 -89.69 -52.57 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.96 -23.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -72.37 -55.33 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.92 -40.33 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 29.5 t90 -57.03 -42.19 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 7.5 m-85 -72.89 -47.06 49.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.69 -63.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.77 -31.5 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 26' ' ' PHE . 6.6 mmmt -68.63 -48.73 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 -43.54 -48.24 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -50.79 -48.55 59.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -43.04 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -47.05 95.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.82 132.87 46.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -75.83 130.7 38.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -86.17 150.4 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.33 82.18 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 177.7 5.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.686 2.258 . . . . 0.0 112.376 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.1 p -49.32 122.66 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.22 53.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -111.77 142.57 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.828 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -109.91 118.87 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.27 65.41 1.87 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -118.87 -45.6 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 88.0 p 42.5 39.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.4 82.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 ppt_? -144.76 122.57 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 13.0 tppt? -172.49 137.1 0.85 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.75 -49.77 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -120.11 94.34 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.0 m -82.63 159.62 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG23 ' CE1' ' A' ' 14' ' ' TYR . 14.5 mt -56.63 -15.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CE1' HG23 ' A' ' 13' ' ' ILE . 28.6 m-85 -140.07 139.47 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -60.36 158.91 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -61.62 -36.62 81.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.72 -36.87 83.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.47 -47.79 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.08 -50.92 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.92 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.51 -62.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.74 -45.19 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.62 -45.05 57.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -74.8 -38.26 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 30.6 t80 -49.41 -42.19 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -66.68 -55.4 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -48.88 -49.29 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -155.71 129.26 8.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -77.56 -26.75 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' A' ' 59' ' ' ARG . 27.1 m-85 -107.31 109.64 21.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 14.4 mt -91.78 142.25 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.9 177.74 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -57.98 -59.07 14.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.75 -24.18 30.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.43 -42.99 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.19 -44.75 96.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.3 80.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -45.23 -49.85 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 12.5 mt -62.31 -28.42 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -86.96 -14.99 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.73 -30.92 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -91.92 -53.03 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.86 -21.61 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.9 16.94 55.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.0 mt -103.31 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -114.47 146.61 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -43.21 -40.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.0 m -55.89 -36.35 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.0 -49.82 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.19 -23.91 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -70.47 -47.08 62.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -70.45 -40.9 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 16.5 t90 -55.17 -34.37 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.2 m-85 -85.93 -28.56 24.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -72.64 -65.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.5 -29.22 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 10.3 mmmt -69.86 -46.28 65.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 13.8 mtm105 -59.78 -46.52 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -51.05 -49.52 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -53.32 -42.46 66.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' LYS . 50.3 mm -34.29 -48.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -68.01 127.19 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -94.88 124.26 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.6 p -93.57 153.98 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.16 -94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 146.22 59.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -102.86 150.46 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -87.53 -53.81 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -122.83 138.62 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -70.95 -60.22 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.46 163.4 11.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -133.11 -59.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -166.41 139.27 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 -175.42 44.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.543 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -123.69 111.25 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -162.05 137.11 5.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -126.26 152.56 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 13' ' ' ILE . 42.5 m -137.37 163.44 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' N ' HG22 ' A' ' 12' ' ' THR . 4.9 mp -54.46 -18.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -136.9 142.33 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -62.41 139.74 58.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 p -44.63 -38.49 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.3 t80 -65.54 -54.17 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' NE2' ' CD2' ' A' ' 46' ' ' LEU . 92.9 mt-30 -57.2 -36.47 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 14.3 mt -71.5 -58.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.21 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -86.61 -43.64 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 51.5 mt -59.06 -54.35 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.41 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -62.66 -39.53 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 60.7 t80 -56.0 -45.9 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.36 -45.55 69.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -56.7 -52.79 63.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -149.07 143.49 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.46 -34.83 65.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -116.05 138.23 51.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 43.2 mt -105.25 161.31 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.63 -175.48 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -61.4 -60.11 11.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -31.16 21.01 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.91 -53.76 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 37' ' ' ARG . 6.7 ttp-105 -53.65 -53.53 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.31 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.94 -41.55 92.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 11.6 mt -70.43 -33.51 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -74.89 -38.71 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.45 -40.42 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.2 t -73.22 -62.38 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -65.87 -14.52 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.27 50.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.9 mt -107.45 -179.61 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.429 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 4.3 t -113.68 152.25 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.46 -44.37 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 m -57.98 -25.12 60.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 3.3 mt-30 -88.12 -54.43 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -60.58 -25.58 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -72.55 -58.59 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.16 -34.17 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.57 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.6 t90 -63.1 -61.93 2.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.5 m-85 -51.63 -31.78 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.56 -36.67 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.51 -60.48 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tppp? -42.33 -55.84 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 12.5 mtp-105 -42.76 -34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 t -80.27 -32.91 38.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -122.81 43.49 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.5 mt -58.08 -58.19 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -78.13 85.28 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -62.48 134.94 57.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -84.3 102.85 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.85 72.04 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.85 12.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.7 p -101.66 153.72 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 p -82.06 42.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -111.89 99.98 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -131.36 41.78 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.96 53.59 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -94.14 84.7 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -111.03 83.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.32 -125.15 0.71 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -62.24 -53.96 47.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 9.3 tptt 45.9 54.96 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.545 0.688 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.74 -49.62 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 10' ' ' PRO . 12.5 mmt-85 -123.94 -62.28 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 13' ' ' ILE . 86.9 m -160.3 158.69 30.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' HG23 ' A' ' 12' ' ' THR . 5.3 mp -46.92 -20.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE1' HG23 ' A' ' 13' ' ' ILE . 45.2 m-85 -137.17 142.59 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -66.13 148.65 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -52.1 -45.17 64.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -58.48 -48.93 79.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' NE2' HD23 ' A' ' 46' ' ' LEU . 91.8 mt-30 -62.19 -45.88 91.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 12.4 mt -61.36 -56.47 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.86 -52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -68.29 -44.99 74.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 38.7 mt -53.96 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -51.32 -44.41 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -52.81 -37.22 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -80.47 -48.09 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE1' ' OE1' ' A' ' 30' ' ' GLN . 9.9 t80 -44.57 -54.03 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 28' ' ' LYS . 8.9 pt20 -51.15 -34.18 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tmtm? -73.63 -48.39 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -162.59 153.23 16.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 30.5 mm-40 -98.4 -27.05 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -104.63 93.24 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 45.6 mt -79.39 146.89 32.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.03 176.87 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 tp -54.97 -59.97 9.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.8 -20.69 34.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 14.6 mm-40 -73.36 -54.54 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.2 ttp-105 -54.07 -45.99 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.14 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.02 -43.59 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt -70.96 -30.49 66.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.98 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.42 -34.36 20.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -77.8 -50.07 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 21' ' ' ALA . 21.5 mt -81.01 -8.39 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 22.23 69.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD23 ' NE2' ' A' ' 18' ' ' GLN . 6.8 mt -103.39 -179.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 14.7 t -112.47 157.66 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -53.63 -32.53 51.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.4 m -73.06 -18.47 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 19.0 mt-30 -91.3 -53.93 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.86 -24.74 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -70.65 -55.22 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.38 -38.75 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 22' ' ' LEU . 74.1 t90 -57.38 -46.55 83.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 8.9 m-85 -70.02 -38.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -62.63 -60.55 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.7 -55.29 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.3 OUTLIER -43.36 -53.53 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.4 mtp-105 -41.96 -55.75 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -44.11 -34.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 28.6 tttp -60.93 -40.83 94.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' LYS . 87.9 mt -34.74 107.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -112.0 156.16 22.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -81.31 144.95 31.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -97.45 140.5 31.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.0 -119.51 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -97.94 147.08 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 m -97.06 170.93 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -57.75 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -114.1 136.02 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.39 172.63 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 31.9 p -65.77 -52.54 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.5 m 35.86 40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.57 114.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -107.71 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -55.66 126.27 63.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.542 0.687 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 1.14 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.383 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -117.58 118.24 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 13' ' ' ILE . 91.4 m -96.03 159.27 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 12' ' ' THR . 76.3 mt -46.98 -20.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CD1' HG23 ' A' ' 13' ' ' ILE . 47.2 m-85 -140.05 137.66 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -62.26 150.16 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 p -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -66.17 -39.14 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' HD22 ' A' ' 46' ' ' LEU . 92.4 mt-30 -74.32 -32.3 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.1 mt -72.87 -59.26 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.9 -50.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.455 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -69.58 -50.6 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 41.5 mt -50.67 -57.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.61 -48.72 78.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -49.14 -41.79 37.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -78.8 -40.28 33.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 19.2 t80 -57.56 -52.29 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -54.0 -26.11 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -80.31 -53.24 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -142.47 134.8 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 12.7 mp0 -77.78 -27.97 50.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -108.87 136.62 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 97.0 mt -118.81 135.37 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.08 -177.3 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -57.46 -60.25 10.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.78 -28.33 25.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -48.53 61.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.3 ttp-105 -65.12 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.51 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.89 -37.07 86.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -76.51 -21.28 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.44 -30.02 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -88.9 -52.83 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 28.6 mt -69.71 -21.83 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 13.86 58.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 4.6 mt -100.23 178.95 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -109.65 158.51 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -54.74 -24.5 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -75.93 -21.26 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -92.24 -43.77 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.56 -20.92 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -75.48 -48.3 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.34 -40.23 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.542 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 25.0 t90 -56.74 -43.8 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 10.6 m-85 -72.9 -52.95 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -53.81 -54.71 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -56.51 -38.43 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 21.5 mmtt -61.09 -54.21 47.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' NE ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -48.75 -57.98 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.8 m -41.09 -43.4 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -65.36 -46.37 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.52 HD13 ' CE2' ' A' ' 26' ' ' PHE . 8.0 mt -55.21 101.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' ILE . 45.7 mtmt -34.37 129.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -86.87 163.53 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 m -70.46 117.49 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.4 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -42.46 3.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 t -57.51 98.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -75.71 -51.68 12.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -111.29 163.85 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -113.2 -51.72 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.83 -170.99 43.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -160.83 162.19 32.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -141.8 156.07 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.2 -57.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -120.8 32.23 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -107.59 82.33 1.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -90.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -76.22 -71.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 13' ' ' ILE . 79.7 m -165.01 159.28 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 ' N ' HG23 ' A' ' 12' ' ' THR . 39.1 mm -47.94 -19.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' CE1' HG22 ' A' ' 13' ' ' ILE . 32.0 m-85 -137.22 152.49 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -73.05 134.95 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -40.92 -50.46 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -52.04 -52.62 49.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.55 -51.69 67.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.8 -50.71 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.66 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.37 68.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.511 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 23.7 mt -47.96 -63.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -49.14 -49.73 40.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.45 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -73.59 -37.42 65.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.45 -58.22 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -35.79 77.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -67.47 -26.79 66.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' NH2' ' A' ' 25' ' ' ARG . 14.5 t -164.94 135.68 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.66 -25.41 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -124.11 137.99 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 93.5 mt -116.06 136.13 53.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.42 -178.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -54.95 -60.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -30.94 21.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 73.9 mm-40 -60.73 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.91 -44.5 96.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.3 -36.8 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -43.06 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -38.02 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -27.19 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.31 -35.47 16.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -81.93 -55.34 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 33.4 mt -70.11 -15.02 62.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.98 16.47 69.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -99.22 -179.6 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.393 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.455 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 15.3 t -112.29 154.96 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -51.56 -38.53 54.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 m -65.95 -20.69 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 12.7 mt-30 -91.73 -51.45 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.15 -22.54 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -72.55 -52.47 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.8 -39.43 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.55 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.2 t90 -57.03 -45.53 83.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CZ ' HD13 ' A' ' 32' ' ' LEU . 9.0 m-85 -71.08 -38.23 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -59.17 -55.74 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.51 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 5.9 tppt? -46.39 -50.16 16.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.4 mtp-105 -59.93 -24.96 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -88.59 -19.44 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -114.5 37.73 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 63' ' ' LYS . 63.1 mt -73.54 108.81 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -35.12 102.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -71.51 159.91 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -110.6 135.48 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -108.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 1.27 4.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.624 2.216 . . . . 0.0 112.391 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' PRO . 28.3 m -35.69 119.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -97.65 152.53 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.518 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -100.54 42.01 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -50.87 106.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -101.25 -157.38 27.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 62.9 p 37.32 41.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -116.28 -58.22 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 60.05 39.18 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -94.14 143.59 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.88 29.29 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -95.62 43.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 13' ' ' ILE . 55.5 m -46.73 154.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.456 ' N ' HG21 ' A' ' 12' ' ' THR . 45.7 mm -46.44 -20.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -140.0 141.4 36.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -64.94 145.29 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 p -49.45 -50.24 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -56.18 -48.84 75.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -61.15 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.7 mt -62.71 -55.7 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.9 -52.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.46 -50.42 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 24.2 mt -45.78 -59.39 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -58.28 -46.48 85.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -52.59 -35.14 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -73.99 -48.06 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -52.35 -43.84 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -49.39 -43.89 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -62.96 -48.0 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.0 t -151.06 144.75 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.92 -30.67 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -110.52 157.32 19.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 mt -129.52 131.94 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 178.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -57.83 -60.14 10.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -12.28 32.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.19 -46.76 13.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 9.9 ttp-105 -62.6 -49.94 73.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.14 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.76 -49.24 71.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.2 -36.71 85.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -73.07 -30.08 63.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.12 -24.79 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -88.77 -57.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 29.2 mt -70.78 -19.27 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.63 19.96 39.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 5.9 mt -101.81 176.82 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 5.6 t -106.11 155.87 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.46 -26.35 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -76.75 -19.92 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 8.1 mt-30 -87.82 -53.19 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 t -60.78 -27.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -70.19 -61.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 ' ND2' ' A' ' 57' ' ' ASN . 59.8 mt -53.42 -29.73 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 36.2 t90 -69.02 -53.08 22.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -65.83 -36.7 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.18 -55.99 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.439 ' ND2' HG21 ' A' ' 53' ' ' ILE . 2.5 m-80 -52.64 -47.63 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tppt? -54.28 -54.82 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -53.87 -18.74 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -87.54 -32.08 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -20.43 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 mt -51.54 105.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 111.78 4.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -63.26 142.89 58.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 59.8 p -73.42 126.03 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.28 -89.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 113.5 3.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -53.94 168.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.8 p -87.5 170.01 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -108.59 42.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -100.45 153.2 19.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.03 -57.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -73.34 162.11 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -154.36 154.02 32.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.02 136.56 13.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.61 133.67 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -135.16 135.31 22.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -100.99 102.89 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 13' ' ' ILE . 61.7 m -115.1 154.93 28.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 12' ' ' THR . 4.6 mm -44.4 -21.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE1' HG21 ' A' ' 13' ' ' ILE . 43.2 m-85 -140.07 151.87 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -76.85 156.95 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -57.47 -35.65 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.92 -50.29 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.13 -38.37 88.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -68.62 -57.37 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.11 -38.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.89 -41.62 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' LEU . 37.7 mt -60.5 -55.93 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.25 -30.7 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -69.22 -37.63 78.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -79.7 -38.62 33.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 10.9 t80 -45.54 -57.15 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -54.92 -40.23 69.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.49 -46.81 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -163.08 126.57 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.87 -29.24 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -109.77 130.18 55.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.2 mt -111.27 139.38 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.51 -178.74 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -56.3 -60.27 9.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.738 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.78 -27.31 26.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -66.22 -37.39 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 3.7 ttp-105 -69.83 -56.49 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -28.43 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -57.31 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.18 -39.95 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -68.24 -22.38 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.17 -45.29 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -74.55 -57.2 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.34 -14.79 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.15 70.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 6.2 mt -102.03 176.6 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.456 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 14.8 t -103.91 160.41 14.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -58.82 -16.81 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 m -89.96 -11.91 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 16.1 mt-30 -94.96 -43.84 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.19 -20.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -75.32 -48.29 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 -35.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 25.1 t90 -62.38 -48.23 80.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.99 -38.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.44 -62.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.08 -24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 7.6 mmmt -75.29 -48.0 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -42.09 -45.01 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -61.22 -40.91 95.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.36 -39.57 83.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.5 mt -38.27 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 61' ' ' LYS . 10.7 mptt -54.54 96.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 143.84 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.81 107.83 19.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.4 -75.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.86 69.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 m -85.14 -45.68 11.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -86.38 -54.34 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.522 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 p -170.76 133.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -148.43 146.88 28.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.91 172.34 24.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -136.08 126.72 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -142.97 115.99 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.72 53.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -87.46 -54.43 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -56.2 151.77 25.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.6 14.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -81.22 143.1 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 13' ' ' ILE . 46.5 m -105.85 156.06 18.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.446 ' N ' HG21 ' A' ' 12' ' ' THR . 56.9 mt -48.43 -18.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' CD1' HG21 ' A' ' 13' ' ' ILE . 42.9 m-85 -140.1 139.54 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -67.0 152.63 45.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -53.71 -40.16 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.03 -48.84 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.89 -36.9 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.6 mt -69.1 -61.17 1.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.98 -43.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.58 -48.88 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 28.3 mt -49.81 -58.95 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -56.29 -42.05 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -50.02 -49.55 50.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -74.47 -40.25 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.5 t80 -53.99 -57.75 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -46.79 -47.89 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -153.72 137.37 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 26' ' ' PHE . 7.1 mm100 -82.05 -16.68 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.47 133.93 55.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.2 mt -119.22 142.22 48.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.28 -175.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -60.53 -60.37 10.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.69 -27.67 26.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.04 -47.42 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.4 ttp-105 -62.38 -46.67 87.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.33 70.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -55.15 -47.19 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.43 -35.84 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.93 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.7 m -82.63 -57.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 23.4 mt -74.02 -9.41 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.8 26.88 55.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -109.25 176.97 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.447 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 5.7 t -106.04 158.01 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -54.96 -33.0 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -72.84 -13.6 61.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 20.1 mt-30 -94.8 -50.45 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.77 -21.85 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -73.74 -54.28 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.64 -37.91 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 44.2 t90 -59.7 -47.87 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -69.22 -22.24 63.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -79.73 -56.47 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.4 -27.98 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.9 mmtt -71.5 -43.37 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.51 -45.03 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -50.8 -45.62 59.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' N ' ' HE3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -62.53 -44.06 97.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' LYS . 50.9 mm -34.44 109.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -44.51 131.48 6.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -74.67 147.24 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 132.06 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.42 -167.16 22.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.294 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t 61.59 27.61 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -120.41 171.19 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -89.61 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -126.53 173.83 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.87 165.21 28.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -123.4 167.07 14.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 m -100.7 -71.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.23 -45.8 2.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -46.76 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.617 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -64.02 -52.22 57.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.79 168.27 22.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' PRO . 13.3 ptp180 34.73 43.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' ARG . 27.2 m -36.58 154.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mp -52.23 -16.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -137.89 136.76 37.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 m -62.69 155.08 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 p -56.06 -47.44 77.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.46 -36.54 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' NE2' ' CD2' ' A' ' 46' ' ' LEU . 84.8 mt-30 -76.28 -38.66 55.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 11.0 mt -68.88 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.08 -56.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -47.19 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 12.2 mt -48.86 -63.06 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.94 -45.51 74.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -48.97 -36.56 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -76.78 -42.16 41.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -55.1 -38.69 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.7 -45.24 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -60.17 -53.86 52.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -147.56 148.06 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -80.47 -31.94 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.07 145.64 35.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 mt -121.98 138.83 54.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -71.08 177.28 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.75 -60.31 9.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 52.7 Cg_endo -69.84 -21.13 33.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -71.11 -48.9 49.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -61.85 -45.29 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.71 -46.62 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.14 -52.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.68 -42.15 74.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -69.81 -23.96 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.78 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 m -84.96 -53.17 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 24.0 mt -69.87 -6.16 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.44 16.0 75.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' CD2' ' NE2' ' A' ' 18' ' ' GLN . 6.1 mt -100.31 179.44 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.9 t -111.94 156.5 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -50.34 -41.71 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 m -61.07 -22.07 64.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -91.47 -49.22 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.61 -22.25 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.61 -43.57 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -72.0 -39.4 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 16.2 t90 -56.88 -36.27 69.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -80.98 -45.58 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -55.36 -58.63 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -52.75 -57.16 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 5.1 tptp -40.37 -51.72 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -53.48 -54.4 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -45.99 -29.82 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.5 tmmm? -67.85 -50.9 53.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' LYS . 15.1 mt -34.13 103.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -36.68 141.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 8.9 mtpm? -85.8 132.19 34.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -77.01 156.0 32.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.89 -97.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -29.04 24.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.4 m -38.52 122.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -82.49 -50.6 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.33 -17.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -140.02 144.04 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -70.63 163.93 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -64.66 -38.47 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.44 -46.79 84.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' CD ' HD21 ' A' ' 46' ' ' LEU . 98.0 mt-30 -68.37 -43.15 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.1 mt -62.42 -59.13 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.04 -62.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -60.24 -45.74 92.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.3 mt -53.7 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.32 -40.09 64.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.03 -24.88 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -90.85 -36.33 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.32 -48.99 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -49.07 -34.63 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -70.21 -43.01 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -160.2 145.13 14.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -77.01 -32.89 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.29 144.9 31.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 mt -124.49 128.35 48.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . . . -57.78 -177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -59.94 -60.06 11.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.78 -16.32 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' OE2' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -79.91 -46.61 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.4 ttp-105 -68.57 -35.1 76.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.85 -28.65 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.24 -41.76 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.6 mt -69.47 -39.14 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.61 -36.07 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.77 -32.52 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -82.89 -59.89 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 14.3 mt -66.97 -15.9 64.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 15.94 61.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.74 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.44 179.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.2 t -111.89 158.82 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -55.56 -29.47 59.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 47' ' ' THR . 31.4 mt-30 -89.72 -50.95 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.9 t -64.18 -22.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -74.77 -52.12 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.83 -30.27 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.0 t90 -68.39 -43.28 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.09 -35.39 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.71 -57.35 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -50.49 -54.71 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -43.52 -55.5 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ILE . 59.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' THR . 62.8 mt -48.79 -18.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.84 149.0 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -75.95 161.15 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 p -60.01 -44.28 94.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 9.0 t80 -60.25 -58.27 9.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.998 ' OE1' HD21 ' A' ' 46' ' ' LEU . 60.3 mt-30 -55.39 -40.47 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -64.97 -59.38 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.33 -54.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.9 -44.17 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 HG22 ' A' ' 51' ' ' VAL . 17.5 mt -50.8 -61.64 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.58 -43.59 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -52.42 -33.84 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' CZ ' HD21 ' A' ' 40' ' ' LEU . 11.0 tpp85 -87.99 -35.42 17.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 40.9 t80 -64.11 -40.93 97.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.49 -34.76 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -69.47 -47.09 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 t -150.23 133.17 16.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.02 -32.59 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.14 129.83 56.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 36' ' ' GLU . 18.1 mt -107.84 132.19 53.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.76 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -55.83 -60.24 9.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -29.09 24.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.802 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -66.26 -42.86 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HD3' ' CG ' ' A' ' 52' ' ' LYS . 23.8 ttm180 -67.71 -38.61 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.28 92.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.39 -41.98 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 32' ' ' LEU . 16.4 mt -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.96 -24.56 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.47 -43.42 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.6 m -76.05 -61.01 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 11.6 mt -64.96 -9.58 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.11 78.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.998 HD21 ' OE1' ' A' ' 18' ' ' GLN . 7.0 mt -99.05 -179.84 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 ' HG3' ' A' ' 50' ' ' GLN . 12.9 t -113.97 152.36 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -49.29 -44.38 43.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -59.26 -22.6 61.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.703 ' HG3' HG22 ' A' ' 47' ' ' THR . 7.3 mt-30 -89.48 -56.21 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.482 HG22 HD21 ' A' ' 22' ' ' LEU . 10.6 t -62.76 -23.83 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 37' ' ' ARG . 52.0 mtpt -72.87 -50.96 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.28 -41.92 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.691 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 32.7 t90 -53.27 -40.54 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -74.28 -36.2 63.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -66.34 -45.62 79.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.39 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.691 ' CE ' ' CZ2' ' A' ' 54' ' ' TRP . 1.4 tppt? -38.62 -59.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.762 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.4 mm -51.97 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -139.99 148.64 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 t -71.55 152.43 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 p -58.97 -38.45 79.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.85 -41.64 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -72.77 -38.45 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.1 mt -69.59 -49.09 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.41 -47.2 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.94 -42.87 47.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.9 mt -56.95 -62.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.65 -24.68 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -78.63 -36.6 43.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HE ' HD21 ' A' ' 40' ' ' LEU . 18.8 tpp180 -77.84 -40.24 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.35 -45.88 55.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -55.09 -47.38 75.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -54.76 -51.31 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 t -157.59 139.88 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -76.42 -22.95 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -117.97 128.09 54.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 24.7 mt -106.79 148.01 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.4 -174.97 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.86 -60.3 9.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -50.65 -42.48 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -69.03 -41.28 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.6 81.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.75 -44.37 48.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 51' ' ' VAL . 6.5 mt -68.16 -38.12 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.58 -21.78 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.79 -38.21 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -82.66 -56.88 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 21' ' ' ALA . 18.7 mt -65.94 -20.84 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 18.03 56.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.744 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -100.11 177.34 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.749 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.1 t -108.64 157.63 18.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -53.51 -31.27 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.457 ' H ' HG23 ' A' ' 47' ' ' THR . 4.9 m -74.22 -18.95 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.749 ' HG3' HG22 ' A' ' 47' ' ' THR . 17.9 mt-30 -89.85 -54.43 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.5 t -60.4 -26.51 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -71.22 -57.24 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.07 -36.81 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.445 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.4 t90 -60.54 -49.62 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.6 m-85 -66.37 -41.76 88.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -48.94 76.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -57.23 -54.0 51.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -47.58 -48.1 28.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 13' ' ' ILE . 47.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' N ' HG22 ' A' ' 12' ' ' THR . 43.7 mt -51.02 -18.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -139.99 147.73 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 t -69.99 154.45 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -55.83 -36.59 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -66.55 -49.51 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.975 ' OE1' HD21 ' A' ' 46' ' ' LEU . 81.5 mt-30 -64.81 -35.55 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.421 ' CD2' ' HE1' ' A' ' 54' ' ' TRP . 12.6 mt -71.99 -54.69 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.78 -46.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.97 -50.26 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' HD13 ' A' ' 44' ' ' LEU . 56.8 mt -49.84 -59.04 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.93 -39.79 78.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -64.23 -26.89 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -86.47 -36.06 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -57.28 -44.44 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.33 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -52.14 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -137.22 154.59 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -87.74 -31.86 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 74.6 m-85 -118.4 150.83 38.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.32 142.91 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.64 -178.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.5 tp -59.16 -60.27 11.1 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.72 -27.97 26.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.47 -53.31 36.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -56.65 -40.48 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.65 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.63 -42.62 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.25 -39.75 82.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -66.78 -43.03 85.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.67 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.9 m -73.84 -60.29 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 HD13 ' HG ' ' A' ' 22' ' ' LEU . 18.7 mt -67.47 -12.98 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.76 16.79 67.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.975 HD21 ' OE1' ' A' ' 18' ' ' GLN . 4.7 mt -101.65 177.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.868 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.7 t -107.12 161.12 15.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -57.59 -25.45 60.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.493 ' H ' HG23 ' A' ' 47' ' ' THR . 3.3 m -81.67 -12.97 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.868 ' HG3' HG22 ' A' ' 47' ' ' THR . 22.2 mt-30 -96.14 -42.8 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.63 -20.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -74.58 -48.13 28.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -67.36 -42.54 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 40.4 t90 -55.17 -46.13 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -68.92 -54.21 16.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -46.63 -63.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -49.83 -48.08 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 9.7 tptt -49.28 -45.66 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.5 mtp-105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 48.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.5 mm -48.83 -18.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -140.01 147.14 39.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.7 m -74.01 152.62 39.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -53.82 -39.27 65.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -62.5 -49.16 76.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' A' ' 46' ' ' LEU . 94.1 mt-30 -66.73 -38.14 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -67.41 -58.51 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.02 -52.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -69.99 -49.08 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 54' ' ' TRP . 15.3 mt -48.62 -62.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -54.32 -44.83 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -49.19 -33.86 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG2' HD11 ' A' ' 32' ' ' LEU . 10.5 tpt180 -83.39 -41.76 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -46.94 -46.14 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -65.56 -39.31 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.67 -52.22 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.95 137.02 14.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -66.5 -31.73 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.42 151.22 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 40' ' ' LEU . 13.1 mt -125.51 140.19 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 174.9 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -55.64 -60.29 8.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.79 -25.31 28.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 2.213 . . . . 0.0 112.384 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HB3' HD22 ' A' ' 32' ' ' LEU . 77.6 mm-40 -69.27 -43.1 74.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -67.75 -40.26 84.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.91 71.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.4 -45.23 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 32' ' ' LEU . 14.5 mt -63.7 -35.55 80.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.93 -28.63 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.67 -44.35 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -72.74 -57.34 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 21' ' ' ALA . 17.6 mt -67.9 -12.78 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 24.14 64.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.815 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.6 mt -106.28 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.3 t -108.16 158.52 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -55.1 -29.48 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 m -73.41 -16.84 61.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.545 ' HG3' HG22 ' A' ' 47' ' ' THR . 21.5 mt-30 -93.56 -48.93 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' A' ' 40' ' ' LEU . 25.3 t -69.12 -24.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.27 -47.44 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.9 mt -69.09 -45.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CD1' HD13 ' A' ' 22' ' ' LEU . 43.1 t90 -50.5 -39.61 49.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -77.09 -43.91 32.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.48 -59.45 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' LYS . 2.2 m-80 -51.08 -61.46 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tptp -36.01 -48.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 13' ' ' ILE . 56.1 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.79 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.4 mp -48.84 -18.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.98 142.46 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -66.63 144.97 56.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 p -49.81 -47.19 51.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.62 -43.38 93.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.09 -38.09 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -68.57 -55.89 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.67 -50.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.637 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.32 -50.54 31.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 54' ' ' TRP . 24.4 mt -47.9 -58.56 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.86 -38.34 75.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -55.68 -48.8 74.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -72.58 -43.3 63.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.8 t80 -42.49 -49.0 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -58.34 -48.06 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.41 -58.68 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -152.01 138.92 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.62 -33.98 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -106.01 143.39 34.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -124.22 138.67 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 169.72 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -43.88 -60.29 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -40.49 5.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 54.8 mm-40 -51.79 -44.95 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -67.97 -46.28 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.33 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.84 -49.21 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 51' ' ' VAL . 12.2 mt -63.17 -34.27 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.16 -39.88 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.2 36.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.2 m -84.16 -56.37 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.637 HD21 ' CB ' ' A' ' 21' ' ' ALA . 24.5 mt -74.28 -10.69 59.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.98 15.62 69.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.76 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -101.05 175.28 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.66 HG22 ' HG3' ' A' ' 50' ' ' GLN . 10.3 t -106.56 161.06 14.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -54.63 -32.28 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 m -72.49 -17.77 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.66 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.7 mt-30 -91.01 -53.95 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 40' ' ' LEU . 14.4 t -61.99 -25.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -70.79 -56.42 6.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.03 -39.72 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 58.9 t90 -56.25 -51.97 66.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.59 -48.56 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -53.47 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -52.33 -32.21 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 22.1 mmtt -70.62 -45.39 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 13' ' ' ILE . 39.9 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.721 0.295 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 12' ' ' THR . 42.3 mm -50.57 -17.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -139.43 131.28 27.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.1 m -59.04 147.87 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.4 p -53.68 -28.51 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -74.43 -42.69 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.08 -33.01 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -74.99 -56.08 5.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.88 -40.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.69 -48.11 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 38.7 mt -50.45 -54.5 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.8 -46.02 92.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -53.22 -26.64 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.64 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.3 tpp180 -89.8 -40.98 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.45 -54.8 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.79 -45.59 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -56.08 -55.54 31.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -143.03 130.14 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.53 -33.89 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -115.39 149.47 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.866 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.3 mt -117.59 137.22 52.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 164.38 12.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -49.73 -60.34 5.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -17.53 37.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.98 -56.73 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 52' ' ' LYS . 3.8 ttm105 -59.16 -38.37 79.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.69 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.78 -47.72 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' HE ' ' A' ' 25' ' ' ARG . 9.6 mt -55.87 -39.99 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.18 -38.86 75.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 -21.82 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -91.65 -58.53 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -69.85 -5.56 26.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.25 79.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.646 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -100.66 -179.68 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.815 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.6 t -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.43 -25.23 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 53' ' ' ILE . 4.1 m -80.09 -10.63 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.815 ' HG3' HG22 ' A' ' 47' ' ' THR . 28.6 mt-30 -95.97 -49.95 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 37' ' ' ARG . 79.5 t -66.8 -23.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 6.3 mtpm? -70.84 -57.9 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 49' ' ' THR . 16.1 mt -57.74 -47.2 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 47.6 t90 -49.51 -47.52 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.866 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.4 m-85 -70.56 -39.43 73.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 39.2 tt0 -61.99 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -48.35 -48.42 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -51.88 -54.2 31.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' NH2' ' HA ' ' A' ' 56' ' ' GLN . 24.9 mtm105 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' ILE . 32.6 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.748 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.9 mp -56.01 -16.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -139.69 136.94 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -61.75 149.52 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 p -52.82 -40.82 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.9 -48.13 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.903 ' OE1' HD21 ' A' ' 46' ' ' LEU . 89.5 mt-30 -63.96 -36.21 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -70.52 -50.93 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.5 -36.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -86.73 -46.07 10.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 54' ' ' TRP . 34.8 mt -52.3 -50.46 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.68 -28.28 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -71.63 -38.29 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -80.97 -34.84 32.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.9 t80 -57.02 -53.85 53.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -55.59 -42.76 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -59.57 -55.04 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -150.13 137.77 19.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -74.3 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.57 141.61 36.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.45 138.83 54.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -66.16 175.58 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -51.75 -60.37 6.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.7 -29.96 23.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 6.0 mm-40 -62.72 -48.11 80.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -64.19 -40.94 97.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.32 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.42 -38.6 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 40' ' ' LEU . 6.4 mt -73.17 -38.18 66.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.37 -30.48 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.48 -44.29 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.2 t -69.3 -51.95 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 21' ' ' ALA . 19.9 mt -75.57 -23.37 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.5 16.0 51.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.903 HD21 ' OE1' ' A' ' 18' ' ' GLN . 6.0 mt -99.49 179.04 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 50' ' ' GLN . 10.1 t -109.06 151.97 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -50.62 -34.93 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.84 -28.28 68.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 mt-30 -86.36 -47.54 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.45 -25.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.53 -55.19 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.2 -40.1 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.452 ' CD1' HD13 ' A' ' 22' ' ' LEU . 14.8 t90 -56.26 -40.08 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -77.61 -47.45 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.69 -65.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -49.33 -30.34 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 8.5 mmtm -68.06 -45.11 74.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.6 mtp-105 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 50.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.754 0.311 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.1 mm -48.64 -18.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -139.99 142.59 36.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -65.67 152.72 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.3 p -55.62 -36.74 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.91 -44.57 84.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 46' ' ' LEU . 97.5 mt-30 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 19' ' ' LEU . 12.8 mt -65.86 -53.16 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.31 -51.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.77 -50.24 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 16.7 mt -47.93 -61.06 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -54.48 -48.22 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -47.86 -44.36 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -75.67 -40.2 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 15.9 t80 -50.68 -54.97 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -53.42 -49.9 66.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -55.23 -56.1 23.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -146.74 143.11 28.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.85 -31.54 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -106.59 127.82 53.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.54 144.71 38.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.34 173.28 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -51.93 -60.22 6.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.554 0.692 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.74 -18.38 37.16 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -76.63 -51.59 11.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 7.5 ttp-105 -58.18 -37.49 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.39 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -39.67 -45.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 40' ' ' LEU . 5.6 mt -63.8 -43.77 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.65 -18.0 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.84 -26.16 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -91.99 -53.44 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 21' ' ' ALA . 13.5 mt -72.04 -17.31 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.24 22.36 48.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.2 mt -105.59 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 2.2 t -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.27 -28.44 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -75.57 -19.7 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 17.4 mt-30 -90.3 -50.05 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.0 -23.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -73.13 -55.66 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.08 -30.11 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HE1' ' CD2' ' A' ' 19' ' ' LEU . 49.7 t90 -67.3 -51.5 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.37 -40.69 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.83 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -49.93 -35.6 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.0 mmmt -69.58 -44.4 70.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 59' ' ' ARG . 7.8 mtp-105 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 13' ' ' ILE . 29.7 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 12' ' ' THR . 39.0 mt -52.82 -17.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -140.0 145.02 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 t -67.89 151.15 47.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -56.42 -36.31 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 t80 -68.59 -51.17 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.626 ' O ' HD13 ' A' ' 44' ' ' LEU . 97.6 mt-30 -60.8 -34.8 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 20.0 mt -72.45 -53.08 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.82 -38.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.603 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -84.8 -41.91 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 40' ' ' LEU . 71.4 mt -58.09 -57.77 11.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.7 -43.19 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -69.08 -21.31 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HG2' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.34 -35.06 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.6 -58.04 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -47.73 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -49.86 -46.76 51.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.55 140.1 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -71.17 -34.9 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -119.7 131.72 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 36' ' ' GLU . 71.7 mt -103.96 142.78 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.42 -176.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -58.47 -60.32 10.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.73 -11.97 31.99 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 32' ' ' LEU . 38.8 mm-40 -83.13 -46.33 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.59 -39.25 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.43 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.05 -45.36 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 32' ' ' LEU . 15.9 mt -66.98 -33.4 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -79.41 -31.35 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.12 -25.47 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -90.94 -55.48 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 18' ' ' GLN . 22.5 mt -71.99 -15.6 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.73 56.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.4 mt -100.62 -179.64 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 ' HG3' ' A' ' 50' ' ' GLN . 11.5 t -112.96 156.3 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 40.5 mt-30 -54.21 -28.4 40.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -74.97 -19.91 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.686 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.4 mt-30 -91.4 -49.94 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 40' ' ' LEU . 16.4 t -67.07 -25.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 23.1 mtpp -69.27 -51.51 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.63 -33.35 61.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 54.7 t90 -65.3 -47.09 77.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.52 -32.36 68.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -70.91 -43.35 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -71.08 -44.65 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -54.89 -42.4 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 13' ' ' ILE . 57.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.8 mt -45.84 -20.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.8 m-85 -138.62 149.49 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -75.51 155.19 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 p -60.57 -35.04 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.48 -43.17 86.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 46' ' ' LEU . 98.3 mt-30 -71.95 -47.68 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 19' ' ' LEU . 12.4 mt -56.82 -55.15 38.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.31 -65.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 mt -53.84 -65.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -48.72 -43.86 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -60.18 -37.81 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -75.53 -39.48 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 9.4 t80 -55.63 -55.71 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -50.08 -50.86 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -50.88 -46.38 60.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -161.37 142.24 11.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' CB ' HH11 ' A' ' 59' ' ' ARG . 19.0 mp0 -82.24 -32.15 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -100.76 135.74 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD22 ' OE2' ' A' ' 36' ' ' GLU . 58.7 mt -116.85 151.86 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . -85.41 160.63 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -37.61 -59.56 1.07 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.588 0.709 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.4 Cg_endo -69.72 -39.17 6.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.305 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.824 ' OE2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.77 -47.86 70.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -63.88 -47.11 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.43 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -52.25 -40.43 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.75 -39.7 69.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.95 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.7 t -76.12 -48.88 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB2' HD12 ' A' ' 46' ' ' LEU . 42.5 mt -84.36 2.09 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.4 21.5 70.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -99.46 -179.72 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 3.9 t -112.5 150.91 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -51.98 -32.76 34.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -69.67 -23.48 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt-30 -89.69 -52.57 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.96 -23.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -72.37 -55.33 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.92 -40.33 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.543 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 29.5 t90 -57.03 -42.19 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 7.5 m-85 -72.89 -47.06 49.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.69 -63.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.77 -31.5 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 26' ' ' PHE . 6.6 mmmt -68.63 -48.73 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 30' ' ' GLN . 26.9 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.495 ' N ' HG22 ' A' ' 12' ' ' THR . 14.5 mt -56.63 -15.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -140.07 139.47 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -60.36 158.91 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -61.62 -36.62 81.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.72 -36.87 83.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.8 mt -70.47 -47.79 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.08 -50.92 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.95 -45.92 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.51 -62.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.74 -45.19 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.62 -45.05 57.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -74.8 -38.26 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 30.6 t80 -49.41 -42.19 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -66.68 -55.4 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -48.88 -49.29 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -155.71 129.26 8.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -77.56 -26.75 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.479 ' CE1' ' HD2' ' A' ' 59' ' ' ARG . 27.1 m-85 -107.31 109.64 21.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 40' ' ' LEU . 14.4 mt -91.78 142.25 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.9 177.74 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -57.98 -59.07 14.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.75 -24.18 30.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.43 -42.99 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.19 -44.75 96.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.3 80.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -45.23 -49.85 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 32' ' ' LEU . 12.5 mt -62.31 -28.42 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -86.96 -14.99 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.73 -30.92 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -91.92 -53.03 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 21' ' ' ALA . 16.7 mt -67.86 -21.61 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.9 16.94 55.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.749 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.0 mt -103.31 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -114.47 146.61 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -43.21 -40.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 52' ' ' LYS . 90.0 m -55.89 -36.35 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.0 -49.82 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 40' ' ' LEU . 4.0 t -64.19 -23.91 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' NZ ' ' HA ' ' A' ' 49' ' ' THR . 5.3 mtmp? -70.47 -47.08 62.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -70.45 -40.9 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 16.5 t90 -55.17 -34.37 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -85.93 -28.56 24.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -72.64 -65.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.5 -29.22 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 10.3 mmmt -69.86 -46.28 65.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 13.8 mtm105 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 13' ' ' ILE . 42.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.777 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.9 mp -54.46 -18.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -136.9 142.33 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -62.41 139.74 58.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 p -44.63 -38.49 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.3 t80 -65.54 -54.17 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.548 ' NE2' HD21 ' A' ' 46' ' ' LEU . 27.0 mt-30 -57.2 -36.47 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 14.3 mt -71.5 -58.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.21 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -86.61 -43.64 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 51.5 mt -59.06 -54.35 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.41 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -62.66 -39.53 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 60.7 t80 -56.0 -45.9 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.36 -45.55 69.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -56.7 -52.79 63.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -149.07 143.49 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.46 -34.83 65.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -116.05 138.23 51.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 40' ' ' LEU . 43.2 mt -105.25 161.31 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.63 -175.48 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -61.4 -60.11 11.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -31.16 21.01 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.788 ' HG3' HD22 ' A' ' 32' ' ' LEU . 3.2 tp10 -61.91 -53.76 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 6.7 ttp-105 -53.65 -53.53 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.31 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.94 -41.55 92.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 32' ' ' LEU . 11.6 mt -70.43 -33.51 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -74.89 -38.71 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.45 -40.42 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.2 t -73.22 -62.38 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -65.87 -14.52 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.27 50.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.768 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.9 mt -107.45 -179.61 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.426 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 4.3 t -113.68 152.25 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.46 -44.37 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 m -57.98 -25.12 60.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 3.3 mt-30 -88.12 -54.43 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 40' ' ' LEU . 9.2 t -60.58 -25.58 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -72.55 -58.59 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.16 -34.17 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.6 t90 -63.1 -61.93 2.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.63 -31.78 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.56 -36.67 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.51 -60.48 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tppp? -42.33 -55.84 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 12.5 mtp-105 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 13' ' ' ILE . 86.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.738 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.3 mp -46.92 -20.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -137.17 142.59 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -66.13 148.65 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -52.1 -45.17 64.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -58.48 -48.93 79.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -62.19 -45.88 91.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 54' ' ' TRP . 12.4 mt -61.36 -56.47 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.86 -52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.588 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -68.29 -44.99 74.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.52 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 38.7 mt -53.96 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -51.32 -44.41 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -52.81 -37.22 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -80.47 -48.09 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE1' ' OE1' ' A' ' 30' ' ' GLN . 9.9 t80 -44.57 -54.03 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' LYS . 8.9 pt20 -51.15 -34.18 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tmtm? -73.63 -48.39 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -162.59 153.23 16.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 30.5 mm-40 -98.4 -27.05 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -104.63 93.24 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 40' ' ' LEU . 45.6 mt -79.39 146.89 32.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -72.03 176.87 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 tp -54.97 -59.97 9.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.8 -20.69 34.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 14.6 mm-40 -73.36 -54.54 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.2 ttp-105 -54.07 -45.99 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.14 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.02 -43.59 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 32' ' ' LEU . 9.5 mt -70.96 -30.49 66.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -75.96 -34.98 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.42 -34.36 20.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -77.8 -50.07 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 21' ' ' ALA . 21.5 mt -81.01 -8.39 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 22.23 69.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.8 mt -103.39 -179.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.786 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.7 t -112.47 157.66 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -53.63 -32.53 51.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.4 m -73.06 -18.47 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.786 ' HG3' HG22 ' A' ' 47' ' ' THR . 19.0 mt-30 -91.3 -53.93 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 40' ' ' LEU . 15.7 t -61.86 -24.74 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -70.65 -55.22 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.38 -38.75 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 22' ' ' LEU . 74.1 t90 -57.38 -46.55 83.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.02 -38.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -62.63 -60.55 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.7 -55.29 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.3 OUTLIER -43.36 -53.53 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.4 mtp-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 13' ' ' ILE . 91.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' N ' HG22 ' A' ' 12' ' ' THR . 76.3 mt -46.98 -20.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 13' ' ' ILE . 47.2 m-85 -140.05 137.66 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -62.26 150.16 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 p -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -66.17 -39.14 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.32 -32.3 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -72.87 -59.26 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.9 -50.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -69.58 -50.6 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 41.5 mt -50.67 -57.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.61 -48.72 78.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -49.14 -41.79 37.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -78.8 -40.28 33.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 19.2 t80 -57.56 -52.29 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -54.0 -26.11 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -80.31 -53.24 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -142.47 134.8 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 12.7 mp0 -77.78 -27.97 50.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -108.87 136.62 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.0 mt -118.81 135.37 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.08 -177.3 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -57.46 -60.25 10.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.78 -28.33 25.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -48.53 61.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.3 ttp-105 -65.12 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.51 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.89 -37.07 86.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.724 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -76.51 -21.28 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.44 -30.02 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -88.9 -52.83 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' A' ' 21' ' ' ALA . 28.6 mt -69.71 -21.83 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 13.86 58.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.724 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 4.6 mt -100.23 178.95 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -109.65 158.51 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -54.74 -24.5 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -75.93 -21.26 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -92.24 -43.77 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.56 -20.92 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -75.48 -48.3 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.34 -40.23 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 25.0 t90 -56.74 -43.8 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -72.9 -52.95 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -53.81 -54.71 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -56.51 -38.43 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 21.5 mmtt -61.09 -54.21 47.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.456 ' NE ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 13' ' ' ILE . 79.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 12' ' ' THR . 39.1 mm -47.94 -19.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -137.22 152.49 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -73.05 134.95 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -40.92 -50.46 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -52.04 -52.62 49.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.3 mt-30 -61.55 -51.69 67.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -50.8 -50.71 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.66 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -53.07 -47.37 68.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 23.7 mt -47.96 -63.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -49.14 -49.73 40.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.45 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -73.59 -37.42 65.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.45 -58.22 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -35.79 77.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -67.47 -26.79 66.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' NH2' ' A' ' 25' ' ' ARG . 14.5 t -164.94 135.68 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.66 -25.41 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -124.11 137.99 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 93.5 mt -116.06 136.13 53.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -70.42 -178.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -54.95 -60.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -30.94 21.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 73.9 mm-40 -60.73 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.91 -44.5 96.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.3 -36.8 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -43.06 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -38.02 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.86 -27.19 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.31 -35.47 16.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -81.93 -55.34 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 21' ' ' ALA . 33.4 mt -70.11 -15.02 62.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.98 16.47 69.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.622 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.22 -179.6 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.393 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.3 t -112.29 154.96 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -51.56 -38.53 54.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 m -65.95 -20.69 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.679 ' HG3' HG22 ' A' ' 47' ' ' THR . 12.7 mt-30 -91.73 -51.45 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.15 -22.54 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -72.55 -52.47 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.8 -39.43 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.2 t90 -57.03 -45.53 83.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.0 m-85 -71.08 -38.23 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.17 -55.74 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.51 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 5.9 tppt? -46.39 -50.16 16.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.4 mtp-105 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 13' ' ' ILE . 55.5 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.7 mm -46.44 -20.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.3 m-85 -140.0 141.4 36.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -64.94 145.29 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 p -49.45 -50.24 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -56.18 -48.84 75.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -61.15 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.497 HD21 ' HE1' ' A' ' 54' ' ' TRP . 10.7 mt -62.71 -55.7 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.9 -52.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.46 -50.42 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 40' ' ' LEU . 24.2 mt -45.78 -59.39 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -58.28 -46.48 85.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -52.59 -35.14 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.652 ' HE ' HD21 ' A' ' 40' ' ' LEU . 17.0 tpp180 -73.99 -48.06 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -52.35 -43.84 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -49.39 -43.89 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -62.96 -48.0 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' TYR . 12.0 t -151.06 144.75 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.92 -30.67 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 29' ' ' THR . 3.3 m-85 -110.52 157.32 19.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 mt -129.52 131.94 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 178.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -57.83 -60.14 10.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -12.28 32.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 5.2 mm-40 -82.19 -46.76 13.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 9.9 ttp-105 -62.6 -49.94 73.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.14 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.76 -49.24 71.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 ' HE ' ' A' ' 25' ' ' ARG . 12.3 mt -65.2 -36.71 85.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.07 -30.08 63.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.12 -24.79 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -88.77 -57.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 29.2 mt -70.78 -19.27 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.63 19.96 39.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.9 mt -101.81 176.82 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.6 t -106.11 155.87 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.46 -26.35 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -76.75 -19.92 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.552 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.1 mt-30 -87.82 -53.19 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 40' ' ' LEU . 10.1 t -60.78 -27.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 32.5 mtpt -70.19 -61.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.42 -29.73 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 36.2 t90 -69.02 -53.08 22.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -65.83 -36.7 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.18 -55.99 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.64 -47.63 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tppt? -54.28 -54.82 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 13' ' ' ILE . 61.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.432 ' N ' HG22 ' A' ' 12' ' ' THR . 4.6 mm -44.4 -21.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' THR . 43.2 m-85 -140.07 151.87 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -76.85 156.95 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -57.47 -35.65 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.92 -50.29 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HA ' HD22 ' A' ' 44' ' ' LEU . 97.6 mt-30 -66.13 -38.37 88.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.2 mt -68.62 -57.37 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.11 -38.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -84.89 -41.62 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 54' ' ' TRP . 37.7 mt -60.5 -55.93 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.25 -30.7 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -69.22 -37.63 78.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NH2' ' HG3' ' A' ' 36' ' ' GLU . 11.8 tpt180 -79.7 -38.62 33.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 10.9 t80 -45.54 -57.15 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -54.92 -40.23 69.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.49 -46.81 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -163.08 126.57 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.87 -29.24 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -109.77 130.18 55.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 81.2 mt -111.27 139.38 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.51 -178.74 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -56.3 -60.27 9.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.738 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.78 -27.31 26.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -66.22 -37.39 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 3.7 ttp-105 -69.83 -56.49 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -28.43 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -57.31 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.18 -39.95 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.24 -22.38 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.17 -45.29 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -74.55 -57.2 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.1 mt -65.34 -14.79 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.15 70.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.756 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.2 mt -102.03 176.6 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.845 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.8 t -103.91 160.41 14.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -58.82 -16.81 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 m -89.96 -11.91 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.845 ' HG3' HG22 ' A' ' 47' ' ' THR . 16.1 mt-30 -94.96 -43.84 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.19 -20.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -75.32 -48.29 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 -35.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 25.1 t90 -62.38 -48.23 80.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.0 m-85 -68.99 -38.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.44 -62.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.08 -24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 7.6 mmmt -75.29 -48.0 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 13' ' ' ILE . 46.5 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.731 0.301 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 12' ' ' THR . 56.9 mt -48.43 -18.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.413 ' CD1' HG22 ' A' ' 13' ' ' ILE . 42.9 m-85 -140.1 139.54 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -67.0 152.63 45.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -53.71 -40.16 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.03 -48.84 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.89 -36.9 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -69.1 -61.17 1.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.98 -43.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -77.58 -48.88 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 28.3 mt -49.81 -58.95 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -56.29 -42.05 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -50.02 -49.55 50.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -74.47 -40.25 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.5 t80 -53.99 -57.75 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -46.79 -47.89 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -153.72 137.37 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 26' ' ' PHE . 7.1 mm100 -82.05 -16.68 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.47 133.93 55.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 86.2 mt -119.22 142.22 48.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.28 -175.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -60.53 -60.37 10.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.69 -27.67 26.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.04 -47.42 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 7.4 ttp-105 -62.38 -46.67 87.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.33 70.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -55.15 -47.19 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.43 -35.84 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.97 -37.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.93 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.7 m -82.63 -57.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 21' ' ' ALA . 23.4 mt -74.02 -9.41 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.8 26.88 55.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.632 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 mt -109.25 176.97 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.894 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.7 t -106.04 158.01 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -54.96 -33.0 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -72.84 -13.6 61.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.894 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.1 mt-30 -94.8 -50.45 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.77 -21.85 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -73.74 -54.28 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.64 -37.91 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 44.2 t90 -59.7 -47.87 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.9 m-85 -69.22 -22.24 63.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -79.73 -56.47 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.4 -27.98 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.9 mmtt -71.5 -43.37 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.771 0.319 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.787 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.6 mp -52.23 -16.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -137.89 136.76 37.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 m -62.69 155.08 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 p -56.06 -47.44 77.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.46 -36.54 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' HD21 ' A' ' 46' ' ' LEU . 84.8 mt-30 -76.28 -38.66 55.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.0 mt -68.88 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.08 -56.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -66.71 -47.19 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -48.86 -63.06 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.94 -45.51 74.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -48.97 -36.56 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' NH1' HD21 ' A' ' 40' ' ' LEU . 3.2 tpt180 -76.78 -42.16 41.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -55.1 -38.69 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.7 -45.24 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -60.17 -53.86 52.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -147.56 148.06 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -80.47 -31.94 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.07 145.64 35.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 26.8 mt -121.98 138.83 54.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -71.08 177.28 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.75 -60.31 9.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 52.7 Cg_endo -69.84 -21.13 33.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -71.11 -48.9 49.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -61.85 -45.29 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.71 -46.62 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.14 -52.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD21 ' NH1' ' A' ' 25' ' ' ARG . 10.4 mt -55.68 -42.15 74.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.81 -23.96 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.78 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 m -84.96 -53.17 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.0 mt -69.87 -6.16 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.44 16.0 75.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.755 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -100.31 179.44 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.9 t -111.94 156.5 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -50.34 -41.71 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 m -61.07 -22.07 64.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' A' ' 47' ' ' THR . 13.6 mt-30 -91.47 -49.22 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.61 -22.25 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.61 -43.57 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -72.0 -39.4 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.2 t90 -56.88 -36.27 69.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.0 m-85 -80.98 -45.58 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -55.36 -58.63 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -52.75 -57.16 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 5.1 tptp -40.37 -51.72 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -125.42 -61.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -93.15 -55.26 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.82 110.5 1.15 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -75.36 87.68 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.823 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -126.77 154.37 44.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.68 151.18 6.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 19.2 ttp-105 -129.41 122.57 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HE2' HD13 ' A' ' 13' ' ' ILE . 18.8 pttt -150.03 145.07 18.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.58 26.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' THR . 17.3 tpt180 -82.01 90.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ARG . 31.2 m -34.46 151.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.543 HD13 ' HE2' ' A' ' 9' ' ' LYS . 48.4 mm -50.33 -17.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -140.02 144.04 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -70.63 163.93 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -64.66 -38.47 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.44 -46.79 84.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' CD ' HD21 ' A' ' 46' ' ' LEU . 98.0 mt-30 -68.37 -43.15 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.1 mt -62.42 -59.13 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.04 -62.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -60.24 -45.74 92.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.3 mt -53.7 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.32 -40.09 64.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.03 -24.88 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -90.85 -36.33 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HZ ' HD11 ' A' ' 62' ' ' ILE . 22.7 t80 -62.32 -48.99 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -49.07 -34.63 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -70.21 -43.01 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -160.2 145.13 14.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -77.01 -32.89 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.29 144.9 31.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 mt -124.49 128.35 48.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . . . -57.78 -177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -59.94 -60.06 11.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.78 -16.32 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' OE2' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -79.91 -46.61 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.4 ttp-105 -68.57 -35.1 76.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.85 -28.65 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.24 -41.76 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.6 mt -69.47 -39.14 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.61 -36.07 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.77 -32.52 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -82.89 -59.89 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 14.3 mt -66.97 -15.9 64.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 15.94 61.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.74 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.44 179.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.2 t -111.89 158.82 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -55.56 -29.47 59.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 47' ' ' THR . 31.4 mt-30 -89.72 -50.95 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.9 t -64.18 -22.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -74.77 -52.12 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.83 -30.27 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.0 t90 -68.39 -43.28 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.09 -35.39 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.71 -57.35 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -50.49 -54.71 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -43.52 -55.5 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' HA ' HD11 ' A' ' 62' ' ' ILE . 52.5 mtp180 -41.92 -37.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t -77.33 -35.16 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' LYS . 19.5 mmtp -109.44 45.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.571 HD11 ' HZ ' ' A' ' 26' ' ' PHE . 15.4 mm -71.4 107.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -35.42 -35.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' H ' HG22 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -74.03 132.19 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 2.6 t -90.64 142.72 27.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.93 -76.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.528 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -30.53 22.37 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 145.56 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.5 p -75.33 178.28 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -102.3 42.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p 39.75 41.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.88 131.87 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -142.9 155.83 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -110.66 -62.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.08 -127.37 7.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.48 154.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.75 145.36 2.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.38 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -120.4 142.39 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ILE . 59.7 m -61.34 158.56 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' THR . 62.8 mt -48.79 -18.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.84 149.0 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -75.95 161.15 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 p -60.01 -44.28 94.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 9.0 t80 -60.25 -58.27 9.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.998 ' OE1' HD21 ' A' ' 46' ' ' LEU . 60.3 mt-30 -55.39 -40.47 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -64.97 -59.38 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.33 -54.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.9 -44.17 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 HG22 ' A' ' 51' ' ' VAL . 17.5 mt -50.8 -61.64 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.58 -43.59 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -52.42 -33.84 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' CZ ' HD21 ' A' ' 40' ' ' LEU . 11.0 tpp85 -87.99 -35.42 17.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 40.9 t80 -64.11 -40.93 97.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.49 -34.76 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -69.47 -47.09 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 t -150.23 133.17 16.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.02 -32.59 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.14 129.83 56.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 36' ' ' GLU . 18.1 mt -107.84 132.19 53.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.76 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -55.83 -60.24 9.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -29.09 24.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.802 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -66.26 -42.86 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HD3' ' CG ' ' A' ' 52' ' ' LYS . 23.8 ttm180 -67.71 -38.61 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.28 92.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.39 -41.98 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 32' ' ' LEU . 16.4 mt -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.96 -24.56 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.47 -43.42 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.6 m -76.05 -61.01 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 11.6 mt -64.96 -9.58 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.11 78.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.998 HD21 ' OE1' ' A' ' 18' ' ' GLN . 7.0 mt -99.05 -179.84 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 ' HG3' ' A' ' 50' ' ' GLN . 12.9 t -113.97 152.36 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -49.29 -44.38 43.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -59.26 -22.6 61.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.703 ' HG3' HG22 ' A' ' 47' ' ' THR . 7.3 mt-30 -89.48 -56.21 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.482 HG22 HD21 ' A' ' 22' ' ' LEU . 10.6 t -62.76 -23.83 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 37' ' ' ARG . 52.0 mtpt -72.87 -50.96 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.28 -41.92 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.691 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 32.7 t90 -53.27 -40.54 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -74.28 -36.2 63.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -66.34 -45.62 79.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.39 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.691 ' CE ' ' CZ2' ' A' ' 54' ' ' TRP . 1.4 tppt? -38.62 -59.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -38.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -66.78 -39.13 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 6.7 mmpt? -74.56 -5.09 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.404 HD11 ' CE2' ' A' ' 26' ' ' PHE . 3.6 mt -90.5 115.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? 74.26 44.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' SER . 15.4 ttpp -87.5 154.17 20.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 89.4 p -58.07 100.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.2 82.64 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.323 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' PRO . 21.2 p 37.27 42.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.5 p -76.9 83.53 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 t -72.36 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -173.66 176.57 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.49 105.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -172.6 140.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -129.37 105.08 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.97 -150.02 8.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -102.15 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptpp? -121.05 152.76 57.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.517 0.675 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.03 13.26 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 65.67 49.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -139.98 151.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.4 mm -51.97 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -139.99 148.64 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 t -71.55 152.43 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 p -58.97 -38.45 79.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.85 -41.64 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -72.77 -38.45 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.1 mt -69.59 -49.09 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.41 -47.2 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.94 -42.87 47.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.9 mt -56.95 -62.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.65 -24.68 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -78.63 -36.6 43.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HE ' HD21 ' A' ' 40' ' ' LEU . 18.8 tpp180 -77.84 -40.24 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 62' ' ' ILE . 21.4 t80 -50.35 -45.88 55.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -55.09 -47.38 75.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -54.76 -51.31 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 t -157.59 139.88 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -76.42 -22.95 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -117.97 128.09 54.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 24.7 mt -106.79 148.01 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.4 -174.97 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.86 -60.3 9.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -50.65 -42.48 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -69.03 -41.28 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.6 81.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.75 -44.37 48.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 51' ' ' VAL . 6.5 mt -68.16 -38.12 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.58 -21.78 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.79 -38.21 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -82.66 -56.88 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 21' ' ' ALA . 18.7 mt -65.94 -20.84 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 18.03 56.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.744 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -100.11 177.34 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.749 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.1 t -108.64 157.63 18.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -53.51 -31.27 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.457 ' H ' HG23 ' A' ' 47' ' ' THR . 4.9 m -74.22 -18.95 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.749 ' HG3' HG22 ' A' ' 47' ' ' THR . 17.9 mt-30 -89.85 -54.43 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.5 t -60.4 -26.51 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -71.22 -57.24 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.07 -36.81 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.445 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.4 t90 -60.54 -49.62 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.6 m-85 -66.37 -41.76 88.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -48.94 76.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -57.23 -54.0 51.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -47.58 -48.1 28.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -45.96 -45.64 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 t -65.32 -24.69 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 51.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.413 HD11 ' CE2' ' A' ' 26' ' ' PHE . 3.6 mt -136.3 148.66 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt 71.76 39.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -95.13 151.58 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -76.61 99.94 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.65 153.91 16.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.445 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -161.47 143.1 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -90.06 -49.5 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -57.89 -44.93 87.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -169.36 145.84 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.71 72.89 0.37 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -130.4 155.61 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -149.07 114.43 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.95 -134.49 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.35 120.62 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -126.6 143.94 48.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -26.57 27.67 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -128.72 126.42 40.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 13' ' ' ILE . 47.4 m -111.3 158.68 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' N ' HG22 ' A' ' 12' ' ' THR . 43.7 mt -51.02 -18.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -139.99 147.73 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 t -69.99 154.45 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -55.83 -36.59 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -66.55 -49.51 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.975 ' OE1' HD21 ' A' ' 46' ' ' LEU . 81.5 mt-30 -64.81 -35.55 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' CD2' ' HE1' ' A' ' 54' ' ' TRP . 12.6 mt -71.99 -54.69 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.78 -46.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.97 -50.26 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' HD13 ' A' ' 44' ' ' LEU . 56.8 mt -49.84 -59.04 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.93 -39.79 78.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -64.23 -26.89 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -86.47 -36.06 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -57.28 -44.44 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.33 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -52.14 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -137.22 154.59 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -87.74 -31.86 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 74.6 m-85 -118.4 150.83 38.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.32 142.91 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.64 -178.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.5 tp -59.16 -60.27 11.1 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.72 -27.97 26.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.47 -53.31 36.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -56.65 -40.48 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.65 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.63 -42.62 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.25 -39.75 82.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -66.78 -43.03 85.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.67 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.9 m -73.84 -60.29 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD13 ' HG ' ' A' ' 22' ' ' LEU . 18.7 mt -67.47 -12.98 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.76 16.79 67.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.975 HD21 ' OE1' ' A' ' 18' ' ' GLN . 4.7 mt -101.65 177.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.868 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.7 t -107.12 161.12 15.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -57.59 -25.45 60.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.493 ' H ' HG23 ' A' ' 47' ' ' THR . 3.3 m -81.67 -12.97 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.868 ' HG3' HG22 ' A' ' 47' ' ' THR . 22.2 mt-30 -96.14 -42.8 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.63 -20.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -74.58 -48.13 28.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -67.36 -42.54 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 40.4 t90 -55.17 -46.13 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -68.92 -54.21 16.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -46.63 -63.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -49.83 -48.08 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 9.7 tptt -49.28 -45.66 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 8.5 mtp-105 -56.46 -38.48 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -58.5 -42.16 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -30.28 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 97.0 mt -41.06 106.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 137.84 32.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.76 147.6 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -82.79 129.11 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.25 145.63 6.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.2 p -62.68 149.12 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.6 t -105.3 143.63 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -102.27 172.31 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -114.03 153.38 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.73 99.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 28.5 t -65.14 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 64.9 m -35.9 142.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.04 67.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -95.62 92.63 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -147.25 160.42 39.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -11.12 30.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.32 113.94 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 48.7 m -76.88 155.98 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.5 mm -48.83 -18.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -140.01 147.14 39.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.7 m -74.01 152.62 39.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -53.82 -39.27 65.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -62.5 -49.16 76.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' A' ' 46' ' ' LEU . 94.1 mt-30 -66.73 -38.14 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -67.41 -58.51 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.02 -52.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -69.99 -49.08 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 54' ' ' TRP . 15.3 mt -48.62 -62.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -54.32 -44.83 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -49.19 -33.86 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG2' HD11 ' A' ' 32' ' ' LEU . 10.5 tpt180 -83.39 -41.76 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -46.94 -46.14 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -65.56 -39.31 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.67 -52.22 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.95 137.02 14.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -66.5 -31.73 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.42 151.22 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 40' ' ' LEU . 13.1 mt -125.51 140.19 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 174.9 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -55.64 -60.29 8.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.79 -25.31 28.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 2.213 . . . . 0.0 112.384 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HB3' HD22 ' A' ' 32' ' ' LEU . 77.6 mm-40 -69.27 -43.1 74.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -67.75 -40.26 84.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.91 71.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.4 -45.23 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 32' ' ' LEU . 14.5 mt -63.7 -35.55 80.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.93 -28.63 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.67 -44.35 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -72.74 -57.34 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 21' ' ' ALA . 17.6 mt -67.9 -12.78 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 24.14 64.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.815 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.6 mt -106.28 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.3 t -108.16 158.52 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -55.1 -29.48 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 m -73.41 -16.84 61.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.545 ' HG3' HG22 ' A' ' 47' ' ' THR . 21.5 mt-30 -93.56 -48.93 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' A' ' 40' ' ' LEU . 25.3 t -69.12 -24.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.27 -47.44 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.9 mt -69.09 -45.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CD1' HD13 ' A' ' 22' ' ' LEU . 43.1 t90 -50.5 -39.61 49.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -77.09 -43.91 32.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.48 -59.45 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.2 m-80 -51.08 -61.46 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tptp -36.01 -48.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 23.4 mtp180 -56.24 -44.5 79.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' ASN . 49.6 p -63.1 -32.92 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 6.7 ttpm? -68.94 -33.57 73.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 86.5 mt -40.85 104.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 ptpt -41.12 -41.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.5 mtpm? -61.53 123.77 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -92.72 141.56 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.05 175.58 15.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -159.94 116.99 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 m -126.64 42.07 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.532 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 p -161.59 119.69 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.83 -40.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' SER . 67.7 m -82.03 82.21 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 96.2 p -36.47 -44.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.76 76.18 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -113.09 102.22 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.66 143.99 36.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 149.79 66.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 60.85 46.03 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 13' ' ' ILE . 56.1 m -40.02 157.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.79 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.4 mp -48.84 -18.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.98 142.46 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -66.63 144.97 56.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 p -49.81 -47.19 51.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.62 -43.38 93.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.09 -38.09 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -68.57 -55.89 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.67 -50.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.32 -50.54 31.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 54' ' ' TRP . 24.4 mt -47.9 -58.56 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.86 -38.34 75.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -55.68 -48.8 74.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -72.58 -43.3 63.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.8 t80 -42.49 -49.0 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -58.34 -48.06 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.41 -58.68 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -152.01 138.92 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.62 -33.98 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -106.01 143.39 34.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -124.22 138.67 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 169.72 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -43.88 -60.29 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -40.49 5.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 54.8 mm-40 -51.79 -44.95 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -67.97 -46.28 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.33 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.84 -49.21 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 51' ' ' VAL . 12.2 mt -63.17 -34.27 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.16 -39.88 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.2 36.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.2 m -84.16 -56.37 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD21 ' CB ' ' A' ' 21' ' ' ALA . 24.5 mt -74.28 -10.69 59.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.98 15.62 69.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.76 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -101.05 175.28 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.66 HG22 ' HG3' ' A' ' 50' ' ' GLN . 10.3 t -106.56 161.06 14.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -54.63 -32.28 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 m -72.49 -17.77 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.66 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.7 mt-30 -91.01 -53.95 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 40' ' ' LEU . 14.4 t -61.99 -25.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -70.79 -56.42 6.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.03 -39.72 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 58.9 t90 -56.25 -51.97 66.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.59 -48.56 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -53.47 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -52.33 -32.21 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 22.1 mmtt -70.62 -45.39 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -47.5 -49.08 26.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.6 t -50.26 -44.24 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -55.68 -35.42 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.7 mt -49.14 98.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -66.56 122.5 17.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -96.39 163.93 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.2 p -82.33 140.09 33.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.17 83.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.39 3.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.5 p -72.42 148.65 44.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 t -96.25 142.65 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 63.63 42.38 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -121.43 112.78 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.55 120.12 5.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -168.04 128.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 p -102.7 178.86 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.65 124.35 7.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.424 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.69 -45.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -49.31 153.65 1.71 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.736 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -41.57 4.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.46 138.72 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 13' ' ' ILE . 39.9 m -70.38 156.38 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 12' ' ' THR . 42.3 mm -50.57 -17.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -139.43 131.28 27.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.1 m -59.04 147.87 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.4 p -53.68 -28.51 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -74.43 -42.69 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.08 -33.01 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -74.99 -56.08 5.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.88 -40.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.69 -48.11 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 38.7 mt -50.45 -54.5 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.8 -46.02 92.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -53.22 -26.64 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.64 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.3 tpp180 -89.8 -40.98 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.45 -54.8 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.79 -45.59 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -56.08 -55.54 31.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -143.03 130.14 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.53 -33.89 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -115.39 149.47 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.866 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.3 mt -117.59 137.22 52.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 164.38 12.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -49.73 -60.34 5.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -17.53 37.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.98 -56.73 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 52' ' ' LYS . 3.8 ttm105 -59.16 -38.37 79.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.69 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.78 -47.72 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' HE ' ' A' ' 25' ' ' ARG . 9.6 mt -55.87 -39.99 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.18 -38.86 75.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 -21.82 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -91.65 -58.53 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -69.85 -5.56 26.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.25 79.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.646 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -100.66 -179.68 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.815 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.6 t -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.43 -25.23 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 53' ' ' ILE . 4.1 m -80.09 -10.63 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.815 ' HG3' HG22 ' A' ' 47' ' ' THR . 28.6 mt-30 -95.97 -49.95 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 37' ' ' ARG . 79.5 t -66.8 -23.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 6.3 mtpm? -70.84 -57.9 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 49' ' ' THR . 16.1 mt -57.74 -47.2 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 47.6 t90 -49.51 -47.52 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.866 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.4 m-85 -70.56 -39.43 73.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 39.2 tt0 -61.99 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -48.35 -48.42 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -51.88 -54.2 31.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.789 ' HA ' HD11 ' A' ' 62' ' ' ILE . 24.9 mtm105 -66.32 -16.39 64.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -95.72 -11.77 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -111.36 30.91 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.789 HD11 ' HA ' ' A' ' 59' ' ' ARG . 16.3 mt -88.62 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -40.47 -61.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 156.24 17.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.0 t -61.7 138.78 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.84 174.93 48.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.3 44.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.0 p -118.56 42.52 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 m 44.01 41.71 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -147.74 115.58 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -163.8 165.24 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.93 -161.12 9.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t 51.07 41.61 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -67.73 173.17 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.39 -168.39 48.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -139.53 170.54 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -113.96 154.89 45.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -3.74 12.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -143.83 129.77 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' ILE . 32.6 m -99.32 161.31 13.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.748 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.9 mp -56.01 -16.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -139.69 136.94 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -61.75 149.52 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 p -52.82 -40.82 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.9 -48.13 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.903 ' OE1' HD21 ' A' ' 46' ' ' LEU . 89.5 mt-30 -63.96 -36.21 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -70.52 -50.93 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.5 -36.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -86.73 -46.07 10.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 54' ' ' TRP . 34.8 mt -52.3 -50.46 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.68 -28.28 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -71.63 -38.29 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -80.97 -34.84 32.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.9 t80 -57.02 -53.85 53.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -55.59 -42.76 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -59.57 -55.04 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -150.13 137.77 19.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -74.3 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.57 141.61 36.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.45 138.83 54.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -66.16 175.58 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -51.75 -60.37 6.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.7 -29.96 23.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 6.0 mm-40 -62.72 -48.11 80.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -64.19 -40.94 97.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.32 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.42 -38.6 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 40' ' ' LEU . 6.4 mt -73.17 -38.18 66.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.37 -30.48 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.48 -44.29 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.2 t -69.3 -51.95 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 21' ' ' ALA . 19.9 mt -75.57 -23.37 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.5 16.0 51.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.903 HD21 ' OE1' ' A' ' 18' ' ' GLN . 6.0 mt -99.49 179.04 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 50' ' ' GLN . 10.1 t -109.06 151.97 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -50.62 -34.93 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.84 -28.28 68.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 mt-30 -86.36 -47.54 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.45 -25.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.53 -55.19 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.2 -40.1 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.452 ' CD1' HD13 ' A' ' 22' ' ' LEU . 14.8 t90 -56.26 -40.08 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -77.61 -47.45 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.69 -65.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -49.33 -30.34 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 8.5 mmtm -68.06 -45.11 74.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.6 mtp-105 -54.77 -48.26 72.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.0 m -56.09 -33.67 65.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 64' ' ' LYS . 24.6 mt -46.43 95.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -66.75 -53.18 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 62' ' ' ILE . 23.3 pttm -68.81 173.57 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 m -103.37 155.16 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.82 -94.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.54 28.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -110.44 159.67 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 t -154.73 149.47 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -129.27 41.02 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -74.74 -52.44 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.49 -167.9 12.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -106.77 -49.97 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.392 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 68.44 42.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.53 52.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -61.16 -59.22 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 154.27 44.39 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.07 34.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -126.69 149.38 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 50.2 m -73.84 156.07 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.1 mm -48.64 -18.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -139.99 142.59 36.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -65.67 152.72 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.3 p -55.62 -36.74 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.91 -44.57 84.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 46' ' ' LEU . 97.5 mt-30 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 19' ' ' LEU . 12.8 mt -65.86 -53.16 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.31 -51.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.77 -50.24 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 16.7 mt -47.93 -61.06 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -54.48 -48.22 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -47.86 -44.36 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -75.67 -40.2 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' A' ' 62' ' ' ILE . 15.9 t80 -50.68 -54.97 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -53.42 -49.9 66.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -55.23 -56.1 23.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -146.74 143.11 28.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.85 -31.54 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -106.59 127.82 53.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.54 144.71 38.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.34 173.28 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -51.93 -60.22 6.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.554 0.692 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.74 -18.38 37.16 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -76.63 -51.59 11.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 7.5 ttp-105 -58.18 -37.49 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.39 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -39.67 -45.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 40' ' ' LEU . 5.6 mt -63.8 -43.77 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.65 -18.0 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.84 -26.16 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -91.99 -53.44 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 21' ' ' ALA . 13.5 mt -72.04 -17.31 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.24 22.36 48.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.2 mt -105.59 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 2.2 t -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.27 -28.44 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -75.57 -19.7 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 17.4 mt-30 -90.3 -50.05 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.0 -23.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -73.13 -55.66 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.08 -30.11 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HE1' ' CD2' ' A' ' 19' ' ' LEU . 49.7 t90 -67.3 -51.5 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.37 -40.69 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.83 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -49.93 -35.6 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.0 mmmt -69.58 -44.4 70.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 7.8 mtp-105 -57.47 -35.36 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -71.58 -10.19 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -103.52 25.26 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 63' ' ' LYS . 4.1 mt -126.05 171.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.664 ' H ' HG22 ' A' ' 62' ' ' ILE . 38.5 mtpt -78.17 49.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -109.6 132.33 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.5 p -71.23 131.42 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.03 146.21 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.46 19.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -126.54 163.65 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -38.83 -50.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -110.37 131.17 55.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -63.2 -53.54 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.09 -157.82 15.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -73.96 123.21 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -97.37 -58.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.03 175.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 66.1 41.63 3.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -110.45 144.48 30.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.2 66.39 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' THR . 14.9 mmm180 -41.98 122.42 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 13' ' ' ILE . 29.7 m -37.11 155.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 12' ' ' THR . 39.0 mt -52.82 -17.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -140.0 145.02 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 t -67.89 151.15 47.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -56.42 -36.31 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 t80 -68.59 -51.17 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.626 ' O ' HD13 ' A' ' 44' ' ' LEU . 97.6 mt-30 -60.8 -34.8 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 20.0 mt -72.45 -53.08 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.82 -38.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -84.8 -41.91 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 40' ' ' LEU . 71.4 mt -58.09 -57.77 11.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.7 -43.19 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -69.08 -21.31 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HG2' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.34 -35.06 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.6 -58.04 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -47.73 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -49.86 -46.76 51.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.55 140.1 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 62' ' ' ILE . 32.3 mt-30 -71.17 -34.9 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -119.7 131.72 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 36' ' ' GLU . 71.7 mt -103.96 142.78 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.42 -176.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -58.47 -60.32 10.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.73 -11.97 31.99 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 32' ' ' LEU . 38.8 mm-40 -83.13 -46.33 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.59 -39.25 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.43 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.05 -45.36 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 32' ' ' LEU . 15.9 mt -66.98 -33.4 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -79.41 -31.35 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.12 -25.47 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -90.94 -55.48 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 18' ' ' GLN . 22.5 mt -71.99 -15.6 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.73 56.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.4 mt -100.62 -179.64 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 ' HG3' ' A' ' 50' ' ' GLN . 11.5 t -112.96 156.3 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 40.5 mt-30 -54.21 -28.4 40.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -74.97 -19.91 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.686 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.4 mt-30 -91.4 -49.94 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 40' ' ' LEU . 16.4 t -67.07 -25.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 23.1 mtpp -69.27 -51.51 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.63 -33.35 61.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 54.7 t90 -65.3 -47.09 77.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.52 -32.36 68.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -70.91 -43.35 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -71.08 -44.65 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -54.89 -42.4 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -62.03 -36.13 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.5 t -74.82 0.05 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -0.59 15.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.471 ' CD1' ' OE1' ' A' ' 30' ' ' GLN . 76.5 mt -60.26 106.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -41.49 110.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -96.99 161.24 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -86.22 150.15 24.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.19 -157.81 27.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.94 8.48 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.743 2.295 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -41.66 102.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t 42.04 42.83 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -145.78 160.12 42.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.827 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -61.03 133.16 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.71 147.82 20.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -128.69 137.6 51.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -87.73 -43.48 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.59 162.9 12.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -139.6 169.98 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -123.73 147.99 55.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.688 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.29 6.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -57.81 93.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 13' ' ' ILE . 57.1 m -100.52 154.23 18.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.8 mt -45.84 -20.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.8 m-85 -138.62 149.49 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -75.51 155.19 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 p -60.57 -35.04 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.48 -43.17 86.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 46' ' ' LEU . 98.3 mt-30 -71.95 -47.68 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 19' ' ' LEU . 12.4 mt -56.82 -55.15 38.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.31 -65.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 mt -53.84 -65.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -48.72 -43.86 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -60.18 -37.81 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -75.53 -39.48 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 9.4 t80 -55.63 -55.71 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -50.08 -50.86 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -50.88 -46.38 60.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -161.37 142.24 11.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' CB ' HH11 ' A' ' 59' ' ' ARG . 19.0 mp0 -82.24 -32.15 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -100.76 135.74 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD22 ' OE2' ' A' ' 36' ' ' GLU . 58.7 mt -116.85 151.86 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . -85.41 160.63 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -37.61 -59.56 1.07 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.588 0.709 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.4 Cg_endo -69.72 -39.17 6.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.305 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.824 ' OE2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.77 -47.86 70.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -63.88 -47.11 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.43 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -52.25 -40.43 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.75 -39.7 69.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.95 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.7 t -76.12 -48.88 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB2' HD12 ' A' ' 46' ' ' LEU . 42.5 mt -84.36 2.09 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.4 21.5 70.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -99.46 -179.72 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 3.9 t -112.5 150.91 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -51.98 -32.76 34.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -69.67 -23.48 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt-30 -89.69 -52.57 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.96 -23.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -72.37 -55.33 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.92 -40.33 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.543 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 29.5 t90 -57.03 -42.19 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 7.5 m-85 -72.89 -47.06 49.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.69 -63.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.77 -31.5 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 26' ' ' PHE . 6.6 mmmt -68.63 -48.73 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 30' ' ' GLN . 26.9 mtp85 -43.54 -48.24 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -50.79 -48.55 59.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -43.04 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.439 HD11 ' CE2' ' A' ' 26' ' ' PHE . 63.4 mt -47.05 95.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.82 132.87 46.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -75.83 130.7 38.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -86.17 150.4 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.33 82.18 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 177.7 5.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.686 2.258 . . . . 0.0 112.376 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.1 p -49.32 122.66 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.22 53.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -111.77 142.57 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.828 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -109.91 118.87 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.27 65.41 1.87 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -118.87 -45.6 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 88.0 p 42.5 39.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.4 82.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -144.76 122.57 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 13.0 tppt? -172.49 137.1 0.85 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.75 -49.77 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -120.11 94.34 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.0 m -82.63 159.62 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.495 ' N ' HG22 ' A' ' 12' ' ' THR . 14.5 mt -56.63 -15.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -140.07 139.47 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -60.36 158.91 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -61.62 -36.62 81.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.72 -36.87 83.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.8 mt -70.47 -47.79 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.08 -50.92 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.95 -45.92 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.51 -62.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.74 -45.19 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.62 -45.05 57.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -74.8 -38.26 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 30.6 t80 -49.41 -42.19 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -66.68 -55.4 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -48.88 -49.29 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -155.71 129.26 8.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -77.56 -26.75 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.479 ' CE1' ' HD2' ' A' ' 59' ' ' ARG . 27.1 m-85 -107.31 109.64 21.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 40' ' ' LEU . 14.4 mt -91.78 142.25 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.9 177.74 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -57.98 -59.07 14.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.75 -24.18 30.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.43 -42.99 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.19 -44.75 96.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.3 80.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -45.23 -49.85 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 32' ' ' LEU . 12.5 mt -62.31 -28.42 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -86.96 -14.99 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.73 -30.92 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -91.92 -53.03 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 21' ' ' ALA . 16.7 mt -67.86 -21.61 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.9 16.94 55.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.749 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.0 mt -103.31 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -114.47 146.61 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -43.21 -40.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 52' ' ' LYS . 90.0 m -55.89 -36.35 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.0 -49.82 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 40' ' ' LEU . 4.0 t -64.19 -23.91 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' NZ ' ' HA ' ' A' ' 49' ' ' THR . 5.3 mtmp? -70.47 -47.08 62.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -70.45 -40.9 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 16.5 t90 -55.17 -34.37 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -85.93 -28.56 24.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -72.64 -65.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.5 -29.22 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 10.3 mmmt -69.86 -46.28 65.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 13.8 mtm105 -59.78 -46.52 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -51.05 -49.52 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -53.32 -42.46 66.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' LYS . 50.3 mm -34.29 -48.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -68.01 127.19 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -94.88 124.26 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.6 p -93.57 153.98 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.16 -94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 146.22 59.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -102.86 150.46 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -87.53 -53.81 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -122.83 138.62 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -70.95 -60.22 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.46 163.4 11.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -133.11 -59.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -166.41 139.27 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 -175.42 44.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.543 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -123.69 111.25 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -162.05 137.11 5.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -126.26 152.56 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 13' ' ' ILE . 42.5 m -137.37 163.44 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.777 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.9 mp -54.46 -18.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -136.9 142.33 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -62.41 139.74 58.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 p -44.63 -38.49 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.3 t80 -65.54 -54.17 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.548 ' NE2' HD21 ' A' ' 46' ' ' LEU . 27.0 mt-30 -57.2 -36.47 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 14.3 mt -71.5 -58.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.21 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -86.61 -43.64 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 51.5 mt -59.06 -54.35 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.41 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -62.66 -39.53 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 60.7 t80 -56.0 -45.9 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.36 -45.55 69.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -56.7 -52.79 63.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -149.07 143.49 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.46 -34.83 65.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -116.05 138.23 51.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 40' ' ' LEU . 43.2 mt -105.25 161.31 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.63 -175.48 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -61.4 -60.11 11.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -31.16 21.01 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.788 ' HG3' HD22 ' A' ' 32' ' ' LEU . 3.2 tp10 -61.91 -53.76 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 6.7 ttp-105 -53.65 -53.53 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.31 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.94 -41.55 92.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 32' ' ' LEU . 11.6 mt -70.43 -33.51 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -74.89 -38.71 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.45 -40.42 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.2 t -73.22 -62.38 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -65.87 -14.52 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.27 50.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.768 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.9 mt -107.45 -179.61 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.426 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 4.3 t -113.68 152.25 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.46 -44.37 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 m -57.98 -25.12 60.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 3.3 mt-30 -88.12 -54.43 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 40' ' ' LEU . 9.2 t -60.58 -25.58 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -72.55 -58.59 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.16 -34.17 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.6 t90 -63.1 -61.93 2.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.63 -31.78 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.56 -36.67 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.51 -60.48 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tppp? -42.33 -55.84 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 12.5 mtp-105 -42.76 -34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 t -80.27 -32.91 38.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -122.81 43.49 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.5 mt -58.08 -58.19 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -78.13 85.28 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -62.48 134.94 57.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -84.3 102.85 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.85 72.04 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.85 12.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.7 p -101.66 153.72 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 p -82.06 42.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -111.89 99.98 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -131.36 41.78 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.96 53.59 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -94.14 84.7 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -111.03 83.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.32 -125.15 0.71 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -62.24 -53.96 47.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 9.3 tptt 45.9 54.96 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.545 0.688 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.74 -49.62 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 10' ' ' PRO . 12.5 mmt-85 -123.94 -62.28 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 13' ' ' ILE . 86.9 m -160.3 158.69 30.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.738 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.3 mp -46.92 -20.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -137.17 142.59 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -66.13 148.65 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -52.1 -45.17 64.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -58.48 -48.93 79.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -62.19 -45.88 91.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 54' ' ' TRP . 12.4 mt -61.36 -56.47 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.86 -52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.588 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -68.29 -44.99 74.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.52 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 38.7 mt -53.96 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -51.32 -44.41 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -52.81 -37.22 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -80.47 -48.09 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE1' ' OE1' ' A' ' 30' ' ' GLN . 9.9 t80 -44.57 -54.03 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' LYS . 8.9 pt20 -51.15 -34.18 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tmtm? -73.63 -48.39 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -162.59 153.23 16.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 30.5 mm-40 -98.4 -27.05 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -104.63 93.24 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 40' ' ' LEU . 45.6 mt -79.39 146.89 32.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -72.03 176.87 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 tp -54.97 -59.97 9.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.8 -20.69 34.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 14.6 mm-40 -73.36 -54.54 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.2 ttp-105 -54.07 -45.99 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.14 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.02 -43.59 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 32' ' ' LEU . 9.5 mt -70.96 -30.49 66.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -75.96 -34.98 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.42 -34.36 20.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -77.8 -50.07 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 21' ' ' ALA . 21.5 mt -81.01 -8.39 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 22.23 69.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.8 mt -103.39 -179.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.786 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.7 t -112.47 157.66 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -53.63 -32.53 51.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.4 m -73.06 -18.47 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.786 ' HG3' HG22 ' A' ' 47' ' ' THR . 19.0 mt-30 -91.3 -53.93 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 40' ' ' LEU . 15.7 t -61.86 -24.74 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -70.65 -55.22 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.38 -38.75 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 22' ' ' LEU . 74.1 t90 -57.38 -46.55 83.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.02 -38.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -62.63 -60.55 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.7 -55.29 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.3 OUTLIER -43.36 -53.53 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.4 mtp-105 -41.96 -55.75 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -44.11 -34.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 28.6 tttp -60.93 -40.83 94.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' LYS . 87.9 mt -34.74 107.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -112.0 156.16 22.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -81.31 144.95 31.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -97.45 140.5 31.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.0 -119.51 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -97.94 147.08 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 m -97.06 170.93 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -57.75 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -114.1 136.02 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.39 172.63 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 31.9 p -65.77 -52.54 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.5 m 35.86 40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.57 114.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -107.71 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -55.66 126.27 63.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.542 0.687 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 1.14 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.383 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -117.58 118.24 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 13' ' ' ILE . 91.4 m -96.03 159.27 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' N ' HG22 ' A' ' 12' ' ' THR . 76.3 mt -46.98 -20.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 13' ' ' ILE . 47.2 m-85 -140.05 137.66 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -62.26 150.16 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 p -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -66.17 -39.14 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.32 -32.3 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -72.87 -59.26 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.9 -50.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -69.58 -50.6 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 41.5 mt -50.67 -57.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.61 -48.72 78.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -49.14 -41.79 37.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -78.8 -40.28 33.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 19.2 t80 -57.56 -52.29 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -54.0 -26.11 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -80.31 -53.24 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -142.47 134.8 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 12.7 mp0 -77.78 -27.97 50.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -108.87 136.62 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.0 mt -118.81 135.37 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.08 -177.3 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -57.46 -60.25 10.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.78 -28.33 25.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -48.53 61.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.3 ttp-105 -65.12 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.51 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.89 -37.07 86.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.724 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -76.51 -21.28 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.44 -30.02 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -88.9 -52.83 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' A' ' 21' ' ' ALA . 28.6 mt -69.71 -21.83 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 13.86 58.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.724 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 4.6 mt -100.23 178.95 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -109.65 158.51 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -54.74 -24.5 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -75.93 -21.26 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -92.24 -43.77 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.56 -20.92 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -75.48 -48.3 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.34 -40.23 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 25.0 t90 -56.74 -43.8 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -72.9 -52.95 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -53.81 -54.71 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -56.51 -38.43 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 21.5 mmtt -61.09 -54.21 47.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.497 HH21 HG21 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -48.75 -57.98 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.8 m -41.09 -43.4 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -65.36 -46.37 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 26' ' ' PHE . 8.0 mt -55.21 101.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' ILE . 45.7 mtmt -34.37 129.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -86.87 163.53 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 m -70.46 117.49 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.4 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -42.46 3.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 t -57.51 98.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -75.71 -51.68 12.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -111.29 163.85 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -113.2 -51.72 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.83 -170.99 43.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -160.83 162.19 32.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -141.8 156.07 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.2 -57.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -120.8 32.23 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -107.59 82.33 1.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -90.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -76.22 -71.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 13' ' ' ILE . 79.7 m -165.01 159.28 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 12' ' ' THR . 39.1 mm -47.94 -19.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -137.22 152.49 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -73.05 134.95 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -40.92 -50.46 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -52.04 -52.62 49.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.3 mt-30 -61.55 -51.69 67.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -50.8 -50.71 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.66 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -53.07 -47.37 68.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 23.7 mt -47.96 -63.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -49.14 -49.73 40.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.45 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -73.59 -37.42 65.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.45 -58.22 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -35.79 77.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -67.47 -26.79 66.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' NH2' ' A' ' 25' ' ' ARG . 14.5 t -164.94 135.68 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.66 -25.41 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -124.11 137.99 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 93.5 mt -116.06 136.13 53.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -70.42 -178.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -54.95 -60.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -30.94 21.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 73.9 mm-40 -60.73 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.91 -44.5 96.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.3 -36.8 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -43.06 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -38.02 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.86 -27.19 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.31 -35.47 16.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -81.93 -55.34 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 21' ' ' ALA . 33.4 mt -70.11 -15.02 62.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.98 16.47 69.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.622 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.22 -179.6 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.393 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.3 t -112.29 154.96 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -51.56 -38.53 54.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 m -65.95 -20.69 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.679 ' HG3' HG22 ' A' ' 47' ' ' THR . 12.7 mt-30 -91.73 -51.45 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.15 -22.54 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -72.55 -52.47 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.8 -39.43 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.2 t90 -57.03 -45.53 83.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.0 m-85 -71.08 -38.23 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.17 -55.74 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.51 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 5.9 tppt? -46.39 -50.16 16.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.4 mtp-105 -59.93 -24.96 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -88.59 -19.44 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -114.5 37.73 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 59' ' ' ARG . 63.1 mt -73.54 108.81 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -35.12 102.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -71.51 159.91 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -110.6 135.48 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -108.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 1.27 4.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.624 2.216 . . . . 0.0 112.391 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' PRO . 28.3 m -35.69 119.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -97.65 152.53 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.518 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -100.54 42.01 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -50.87 106.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -101.25 -157.38 27.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 62.9 p 37.32 41.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -116.28 -58.22 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 60.05 39.18 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -94.14 143.59 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.88 29.29 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -95.62 43.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 13' ' ' ILE . 55.5 m -46.73 154.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.7 mm -46.44 -20.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.3 m-85 -140.0 141.4 36.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -64.94 145.29 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 p -49.45 -50.24 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -56.18 -48.84 75.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -61.15 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD21 ' HE1' ' A' ' 54' ' ' TRP . 10.7 mt -62.71 -55.7 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.9 -52.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.46 -50.42 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 40' ' ' LEU . 24.2 mt -45.78 -59.39 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -58.28 -46.48 85.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -52.59 -35.14 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.652 ' HE ' HD21 ' A' ' 40' ' ' LEU . 17.0 tpp180 -73.99 -48.06 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -52.35 -43.84 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -49.39 -43.89 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -62.96 -48.0 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' TYR . 12.0 t -151.06 144.75 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.92 -30.67 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 29' ' ' THR . 3.3 m-85 -110.52 157.32 19.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 mt -129.52 131.94 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 178.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -57.83 -60.14 10.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -12.28 32.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 5.2 mm-40 -82.19 -46.76 13.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 9.9 ttp-105 -62.6 -49.94 73.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.14 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.76 -49.24 71.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 ' HE ' ' A' ' 25' ' ' ARG . 12.3 mt -65.2 -36.71 85.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.07 -30.08 63.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.12 -24.79 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -88.77 -57.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 29.2 mt -70.78 -19.27 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.63 19.96 39.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.9 mt -101.81 176.82 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.6 t -106.11 155.87 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.46 -26.35 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -76.75 -19.92 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.552 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.1 mt-30 -87.82 -53.19 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 40' ' ' LEU . 10.1 t -60.78 -27.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 32.5 mtpt -70.19 -61.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.42 -29.73 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 36.2 t90 -69.02 -53.08 22.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -65.83 -36.7 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.18 -55.99 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.64 -47.63 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tppt? -54.28 -54.82 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -53.87 -18.74 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -87.54 -32.08 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -20.43 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 mt -51.54 105.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 111.78 4.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -63.26 142.89 58.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 59.8 p -73.42 126.03 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.28 -89.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 113.5 3.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -53.94 168.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.8 p -87.5 170.01 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -108.59 42.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -100.45 153.2 19.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.03 -57.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -73.34 162.11 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -154.36 154.02 32.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.02 136.56 13.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.61 133.67 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -135.16 135.31 22.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -100.99 102.89 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 13' ' ' ILE . 61.7 m -115.1 154.93 28.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.432 ' N ' HG22 ' A' ' 12' ' ' THR . 4.6 mm -44.4 -21.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' THR . 43.2 m-85 -140.07 151.87 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -76.85 156.95 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -57.47 -35.65 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.92 -50.29 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HA ' HD22 ' A' ' 44' ' ' LEU . 97.6 mt-30 -66.13 -38.37 88.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.2 mt -68.62 -57.37 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.11 -38.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -84.89 -41.62 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 54' ' ' TRP . 37.7 mt -60.5 -55.93 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.25 -30.7 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -69.22 -37.63 78.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NH2' ' HG3' ' A' ' 36' ' ' GLU . 11.8 tpt180 -79.7 -38.62 33.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 10.9 t80 -45.54 -57.15 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -54.92 -40.23 69.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.49 -46.81 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -163.08 126.57 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.87 -29.24 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -109.77 130.18 55.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 81.2 mt -111.27 139.38 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.51 -178.74 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -56.3 -60.27 9.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.738 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.78 -27.31 26.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -66.22 -37.39 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 3.7 ttp-105 -69.83 -56.49 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -28.43 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -57.31 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.18 -39.95 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.24 -22.38 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.17 -45.29 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -74.55 -57.2 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.1 mt -65.34 -14.79 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.15 70.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.756 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.2 mt -102.03 176.6 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.845 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.8 t -103.91 160.41 14.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -58.82 -16.81 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 m -89.96 -11.91 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.845 ' HG3' HG22 ' A' ' 47' ' ' THR . 16.1 mt-30 -94.96 -43.84 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.19 -20.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -75.32 -48.29 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 -35.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 25.1 t90 -62.38 -48.23 80.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.0 m-85 -68.99 -38.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.44 -62.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.08 -24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 7.6 mmmt -75.29 -48.0 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -42.09 -45.01 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -61.22 -40.91 95.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.36 -39.57 83.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.5 mt -38.27 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 61' ' ' LYS . 10.7 mptt -54.54 96.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 143.84 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.81 107.83 19.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.4 -75.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.86 69.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 m -85.14 -45.68 11.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -86.38 -54.34 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.522 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 p -170.76 133.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -148.43 146.88 28.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.91 172.34 24.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -136.08 126.72 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -142.97 115.99 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.72 53.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -87.46 -54.43 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -56.2 151.77 25.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.6 14.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -81.22 143.1 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 13' ' ' ILE . 46.5 m -105.85 156.06 18.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 12' ' ' THR . 56.9 mt -48.43 -18.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.413 ' CD1' HG22 ' A' ' 13' ' ' ILE . 42.9 m-85 -140.1 139.54 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -67.0 152.63 45.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -53.71 -40.16 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.03 -48.84 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.89 -36.9 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -69.1 -61.17 1.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.98 -43.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -77.58 -48.88 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 28.3 mt -49.81 -58.95 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -56.29 -42.05 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -50.02 -49.55 50.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -74.47 -40.25 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.5 t80 -53.99 -57.75 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -46.79 -47.89 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -153.72 137.37 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 26' ' ' PHE . 7.1 mm100 -82.05 -16.68 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.47 133.93 55.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 86.2 mt -119.22 142.22 48.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.28 -175.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -60.53 -60.37 10.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.69 -27.67 26.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.04 -47.42 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 7.4 ttp-105 -62.38 -46.67 87.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.33 70.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -55.15 -47.19 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.43 -35.84 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.97 -37.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.93 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.7 m -82.63 -57.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 21' ' ' ALA . 23.4 mt -74.02 -9.41 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.8 26.88 55.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.632 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 mt -109.25 176.97 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.894 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.7 t -106.04 158.01 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -54.96 -33.0 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -72.84 -13.6 61.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.894 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.1 mt-30 -94.8 -50.45 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.77 -21.85 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -73.74 -54.28 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.64 -37.91 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 44.2 t90 -59.7 -47.87 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.9 m-85 -69.22 -22.24 63.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -79.73 -56.47 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.4 -27.98 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.9 mmtt -71.5 -43.37 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.51 -45.03 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -50.8 -45.62 59.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' N ' ' HE3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -62.53 -44.06 97.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' LYS . 50.9 mm -34.44 109.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -44.51 131.48 6.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -74.67 147.24 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 132.06 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.42 -167.16 22.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.294 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t 61.59 27.61 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -120.41 171.19 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -89.61 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -126.53 173.83 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.87 165.21 28.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -123.4 167.07 14.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 m -100.7 -71.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.23 -45.8 2.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -46.76 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -64.02 -52.22 57.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.79 168.27 22.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' PRO . 13.3 ptp180 34.73 43.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.2 m -36.58 154.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.787 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.6 mp -52.23 -16.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -137.89 136.76 37.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 m -62.69 155.08 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 p -56.06 -47.44 77.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.46 -36.54 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' HD21 ' A' ' 46' ' ' LEU . 84.8 mt-30 -76.28 -38.66 55.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.0 mt -68.88 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.08 -56.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -66.71 -47.19 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -48.86 -63.06 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.94 -45.51 74.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -48.97 -36.56 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' NH1' HD21 ' A' ' 40' ' ' LEU . 3.2 tpt180 -76.78 -42.16 41.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -55.1 -38.69 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.7 -45.24 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -60.17 -53.86 52.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -147.56 148.06 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -80.47 -31.94 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.07 145.64 35.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 26.8 mt -121.98 138.83 54.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -71.08 177.28 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.75 -60.31 9.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 52.7 Cg_endo -69.84 -21.13 33.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -71.11 -48.9 49.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -61.85 -45.29 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.71 -46.62 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.14 -52.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD21 ' NH1' ' A' ' 25' ' ' ARG . 10.4 mt -55.68 -42.15 74.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.81 -23.96 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.78 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 m -84.96 -53.17 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.0 mt -69.87 -6.16 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.44 16.0 75.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.755 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -100.31 179.44 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.9 t -111.94 156.5 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -50.34 -41.71 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 m -61.07 -22.07 64.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' A' ' 47' ' ' THR . 13.6 mt-30 -91.47 -49.22 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.61 -22.25 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.61 -43.57 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -72.0 -39.4 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.2 t90 -56.88 -36.27 69.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.0 m-85 -80.98 -45.58 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -55.36 -58.63 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -52.75 -57.16 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 5.1 tptp -40.37 -51.72 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -53.48 -54.4 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -45.99 -29.82 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.5 tmmm? -67.85 -50.9 53.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' LYS . 15.1 mt -34.13 103.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -36.68 141.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 8.9 mtpm? -85.8 132.19 34.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -77.01 156.0 32.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.89 -97.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -29.04 24.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.4 m -38.52 122.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -82.49 -50.6 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mm -50.33 -17.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -140.02 144.04 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -70.63 163.93 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -64.66 -38.47 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.44 -46.79 84.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' CD ' HD21 ' A' ' 46' ' ' LEU . 98.0 mt-30 -68.37 -43.15 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.1 mt -62.42 -59.13 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.04 -62.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -60.24 -45.74 92.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.3 mt -53.7 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.32 -40.09 64.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.03 -24.88 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -90.85 -36.33 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.32 -48.99 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -49.07 -34.63 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -70.21 -43.01 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -160.2 145.13 14.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -77.01 -32.89 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.29 144.9 31.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 mt -124.49 128.35 48.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . . . -57.78 -177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -59.94 -60.06 11.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.78 -16.32 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' OE2' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -79.91 -46.61 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.4 ttp-105 -68.57 -35.1 76.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.85 -28.65 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.24 -41.76 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.6 mt -69.47 -39.14 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.61 -36.07 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.77 -32.52 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -82.89 -59.89 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 14.3 mt -66.97 -15.9 64.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 15.94 61.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.74 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.44 179.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.2 t -111.89 158.82 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -55.56 -29.47 59.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 47' ' ' THR . 31.4 mt-30 -89.72 -50.95 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.9 t -64.18 -22.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -74.77 -52.12 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.83 -30.27 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.0 t90 -68.39 -43.28 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.09 -35.39 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.71 -57.35 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -50.49 -54.71 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -43.52 -55.5 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ILE . 59.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' THR . 62.8 mt -48.79 -18.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.84 149.0 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -75.95 161.15 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 p -60.01 -44.28 94.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 9.0 t80 -60.25 -58.27 9.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.998 ' OE1' HD21 ' A' ' 46' ' ' LEU . 60.3 mt-30 -55.39 -40.47 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -64.97 -59.38 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.33 -54.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.9 -44.17 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 HG22 ' A' ' 51' ' ' VAL . 17.5 mt -50.8 -61.64 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.58 -43.59 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -52.42 -33.84 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' CZ ' HD21 ' A' ' 40' ' ' LEU . 11.0 tpp85 -87.99 -35.42 17.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 40.9 t80 -64.11 -40.93 97.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.49 -34.76 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -69.47 -47.09 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 t -150.23 133.17 16.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.02 -32.59 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.14 129.83 56.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 36' ' ' GLU . 18.1 mt -107.84 132.19 53.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.76 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -55.83 -60.24 9.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -29.09 24.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.802 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -66.26 -42.86 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HD3' ' CG ' ' A' ' 52' ' ' LYS . 23.8 ttm180 -67.71 -38.61 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.28 92.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.39 -41.98 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 32' ' ' LEU . 16.4 mt -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.96 -24.56 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.47 -43.42 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.6 m -76.05 -61.01 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 11.6 mt -64.96 -9.58 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.11 78.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.998 HD21 ' OE1' ' A' ' 18' ' ' GLN . 7.0 mt -99.05 -179.84 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 ' HG3' ' A' ' 50' ' ' GLN . 12.9 t -113.97 152.36 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -49.29 -44.38 43.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -59.26 -22.6 61.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.703 ' HG3' HG22 ' A' ' 47' ' ' THR . 7.3 mt-30 -89.48 -56.21 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.482 HG22 HD21 ' A' ' 22' ' ' LEU . 10.6 t -62.76 -23.83 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 37' ' ' ARG . 52.0 mtpt -72.87 -50.96 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.28 -41.92 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.691 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 32.7 t90 -53.27 -40.54 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -74.28 -36.2 63.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -66.34 -45.62 79.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.39 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.691 ' CE ' ' CZ2' ' A' ' 54' ' ' TRP . 1.4 tppt? -38.62 -59.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.762 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.4 mm -51.97 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -139.99 148.64 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 t -71.55 152.43 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 p -58.97 -38.45 79.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.85 -41.64 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -72.77 -38.45 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.1 mt -69.59 -49.09 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.41 -47.2 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.94 -42.87 47.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.9 mt -56.95 -62.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.65 -24.68 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -78.63 -36.6 43.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HE ' HD21 ' A' ' 40' ' ' LEU . 18.8 tpp180 -77.84 -40.24 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -50.35 -45.88 55.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -55.09 -47.38 75.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -54.76 -51.31 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 t -157.59 139.88 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -76.42 -22.95 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -117.97 128.09 54.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 24.7 mt -106.79 148.01 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.4 -174.97 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.86 -60.3 9.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -50.65 -42.48 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -69.03 -41.28 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.6 81.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.75 -44.37 48.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 51' ' ' VAL . 6.5 mt -68.16 -38.12 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.58 -21.78 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.79 -38.21 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -82.66 -56.88 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 21' ' ' ALA . 18.7 mt -65.94 -20.84 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 18.03 56.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.744 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -100.11 177.34 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.749 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.1 t -108.64 157.63 18.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -53.51 -31.27 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.457 ' H ' HG23 ' A' ' 47' ' ' THR . 4.9 m -74.22 -18.95 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.749 ' HG3' HG22 ' A' ' 47' ' ' THR . 17.9 mt-30 -89.85 -54.43 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.5 t -60.4 -26.51 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -71.22 -57.24 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.07 -36.81 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.445 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.4 t90 -60.54 -49.62 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.6 m-85 -66.37 -41.76 88.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -48.94 76.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -57.23 -54.0 51.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -47.58 -48.1 28.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 13' ' ' ILE . 47.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' N ' HG22 ' A' ' 12' ' ' THR . 43.7 mt -51.02 -18.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -139.99 147.73 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 t -69.99 154.45 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -55.83 -36.59 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -66.55 -49.51 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.975 ' OE1' HD21 ' A' ' 46' ' ' LEU . 81.5 mt-30 -64.81 -35.55 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.421 ' CD2' ' HE1' ' A' ' 54' ' ' TRP . 12.6 mt -71.99 -54.69 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.78 -46.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.97 -50.26 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' HD13 ' A' ' 44' ' ' LEU . 56.8 mt -49.84 -59.04 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.93 -39.79 78.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -64.23 -26.89 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -86.47 -36.06 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -57.28 -44.44 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.33 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -52.14 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -137.22 154.59 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -87.74 -31.86 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 74.6 m-85 -118.4 150.83 38.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.32 142.91 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.64 -178.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.5 tp -59.16 -60.27 11.1 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.72 -27.97 26.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.47 -53.31 36.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -56.65 -40.48 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.65 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.63 -42.62 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.25 -39.75 82.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -66.78 -43.03 85.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.67 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.9 m -73.84 -60.29 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 HD13 ' HG ' ' A' ' 22' ' ' LEU . 18.7 mt -67.47 -12.98 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.76 16.79 67.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.975 HD21 ' OE1' ' A' ' 18' ' ' GLN . 4.7 mt -101.65 177.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.868 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.7 t -107.12 161.12 15.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -57.59 -25.45 60.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.493 ' H ' HG23 ' A' ' 47' ' ' THR . 3.3 m -81.67 -12.97 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.868 ' HG3' HG22 ' A' ' 47' ' ' THR . 22.2 mt-30 -96.14 -42.8 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.63 -20.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -74.58 -48.13 28.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -67.36 -42.54 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 40.4 t90 -55.17 -46.13 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -68.92 -54.21 16.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -46.63 -63.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -49.83 -48.08 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 9.7 tptt -49.28 -45.66 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.5 mtp-105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 48.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.5 mm -48.83 -18.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -140.01 147.14 39.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.7 m -74.01 152.62 39.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -53.82 -39.27 65.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -62.5 -49.16 76.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' A' ' 46' ' ' LEU . 94.1 mt-30 -66.73 -38.14 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -67.41 -58.51 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.02 -52.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -69.99 -49.08 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 54' ' ' TRP . 15.3 mt -48.62 -62.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -54.32 -44.83 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -49.19 -33.86 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG2' HD11 ' A' ' 32' ' ' LEU . 10.5 tpt180 -83.39 -41.76 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -46.94 -46.14 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -65.56 -39.31 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.67 -52.22 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.95 137.02 14.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -66.5 -31.73 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.42 151.22 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 40' ' ' LEU . 13.1 mt -125.51 140.19 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 174.9 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -55.64 -60.29 8.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.79 -25.31 28.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 2.213 . . . . 0.0 112.384 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HB3' HD22 ' A' ' 32' ' ' LEU . 77.6 mm-40 -69.27 -43.1 74.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -67.75 -40.26 84.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.91 71.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.4 -45.23 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 32' ' ' LEU . 14.5 mt -63.7 -35.55 80.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.93 -28.63 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.67 -44.35 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -72.74 -57.34 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 21' ' ' ALA . 17.6 mt -67.9 -12.78 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 24.14 64.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.815 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.6 mt -106.28 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.3 t -108.16 158.52 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -55.1 -29.48 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 m -73.41 -16.84 61.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.545 ' HG3' HG22 ' A' ' 47' ' ' THR . 21.5 mt-30 -93.56 -48.93 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' A' ' 40' ' ' LEU . 25.3 t -69.12 -24.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.27 -47.44 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.9 mt -69.09 -45.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CD1' HD13 ' A' ' 22' ' ' LEU . 43.1 t90 -50.5 -39.61 49.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -77.09 -43.91 32.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.48 -59.45 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' LYS . 2.2 m-80 -51.08 -61.46 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tptp -36.01 -48.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 13' ' ' ILE . 56.1 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.4 mp -48.84 -18.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.98 142.46 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -66.63 144.97 56.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 p -49.81 -47.19 51.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.62 -43.38 93.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.09 -38.09 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -68.57 -55.89 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.67 -50.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.637 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.32 -50.54 31.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 54' ' ' TRP . 24.4 mt -47.9 -58.56 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.86 -38.34 75.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -55.68 -48.8 74.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -72.58 -43.3 63.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.8 t80 -42.49 -49.0 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -58.34 -48.06 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.41 -58.68 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -152.01 138.92 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.62 -33.98 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -106.01 143.39 34.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -124.22 138.67 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 169.72 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -43.88 -60.29 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -40.49 5.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 54.8 mm-40 -51.79 -44.95 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -67.97 -46.28 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.33 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.84 -49.21 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 51' ' ' VAL . 12.2 mt -63.17 -34.27 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.16 -39.88 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.2 36.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.2 m -84.16 -56.37 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.637 HD21 ' CB ' ' A' ' 21' ' ' ALA . 24.5 mt -74.28 -10.69 59.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.98 15.62 69.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.76 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -101.05 175.28 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.66 HG22 ' HG3' ' A' ' 50' ' ' GLN . 10.3 t -106.56 161.06 14.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -54.63 -32.28 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 m -72.49 -17.77 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.66 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.7 mt-30 -91.01 -53.95 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 40' ' ' LEU . 14.4 t -61.99 -25.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -70.79 -56.42 6.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.03 -39.72 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 58.9 t90 -56.25 -51.97 66.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.59 -48.56 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -53.47 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -52.33 -32.21 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 22.1 mmtt -70.62 -45.39 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 13' ' ' ILE . 39.9 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.721 0.295 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 12' ' ' THR . 42.3 mm -50.57 -17.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -139.43 131.28 27.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.1 m -59.04 147.87 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.4 p -53.68 -28.51 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -74.43 -42.69 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.08 -33.01 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -74.99 -56.08 5.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.88 -40.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.69 -48.11 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 38.7 mt -50.45 -54.5 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.8 -46.02 92.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -53.22 -26.64 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.64 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.3 tpp180 -89.8 -40.98 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.45 -54.8 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.79 -45.59 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -56.08 -55.54 31.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -143.03 130.14 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.53 -33.89 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -115.39 149.47 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.866 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.3 mt -117.59 137.22 52.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 164.38 12.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -49.73 -60.34 5.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -17.53 37.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.98 -56.73 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 52' ' ' LYS . 3.8 ttm105 -59.16 -38.37 79.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.69 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.78 -47.72 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' HE ' ' A' ' 25' ' ' ARG . 9.6 mt -55.87 -39.99 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.18 -38.86 75.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 -21.82 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -91.65 -58.53 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -69.85 -5.56 26.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.25 79.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.646 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -100.66 -179.68 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.815 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.6 t -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.43 -25.23 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 53' ' ' ILE . 4.1 m -80.09 -10.63 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.815 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.9 mt-30 -95.97 -49.95 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 37' ' ' ARG . 79.5 t -66.8 -23.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 6.3 mtpm? -70.84 -57.9 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 49' ' ' THR . 16.1 mt -57.74 -47.2 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 47.6 t90 -49.51 -47.52 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.866 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.4 m-85 -70.56 -39.43 73.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 39.2 tt0 -61.99 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -48.35 -48.42 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -51.88 -54.2 31.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' NH2' ' HA ' ' A' ' 56' ' ' GLN . 24.9 mtm105 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' ILE . 32.6 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.9 mp -56.01 -16.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -139.69 136.94 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -61.75 149.52 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 p -52.82 -40.82 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.9 -48.13 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.903 ' OE1' HD21 ' A' ' 46' ' ' LEU . 89.5 mt-30 -63.96 -36.21 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -70.52 -50.93 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.5 -36.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -86.73 -46.07 10.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 54' ' ' TRP . 34.8 mt -52.3 -50.46 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.68 -28.28 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -71.63 -38.29 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -80.97 -34.84 32.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.9 t80 -57.02 -53.85 53.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -55.59 -42.76 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -59.57 -55.04 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -150.13 137.77 19.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -74.3 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.57 141.61 36.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.45 138.83 54.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -66.16 175.58 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -51.75 -60.37 6.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.7 -29.96 23.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 6.0 mm-40 -62.72 -48.11 80.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -64.19 -40.94 97.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.32 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.42 -38.6 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 40' ' ' LEU . 6.4 mt -73.17 -38.18 66.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.37 -30.48 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.48 -44.29 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.2 t -69.3 -51.95 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 21' ' ' ALA . 19.9 mt -75.57 -23.37 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.5 16.0 51.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.903 HD21 ' OE1' ' A' ' 18' ' ' GLN . 6.0 mt -99.49 179.04 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 50' ' ' GLN . 10.1 t -109.06 151.97 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -50.62 -34.93 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.84 -28.28 68.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 mt-30 -86.36 -47.54 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.45 -25.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.53 -55.19 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.2 -40.1 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.452 ' CD1' HD13 ' A' ' 22' ' ' LEU . 14.8 t90 -56.26 -40.08 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -77.61 -47.45 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.69 -65.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -49.33 -30.34 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 8.5 mmtm -68.06 -45.11 74.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.6 mtp-105 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 50.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.754 0.311 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.1 mm -48.64 -18.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -139.99 142.59 36.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -65.67 152.72 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.3 p -55.62 -36.74 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.91 -44.57 84.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 46' ' ' LEU . 97.5 mt-30 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 19' ' ' LEU . 12.8 mt -65.86 -53.16 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.31 -51.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.77 -50.24 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 16.7 mt -47.93 -61.06 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -54.48 -48.22 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -47.86 -44.36 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -75.67 -40.2 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 15.9 t80 -50.68 -54.97 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -53.42 -49.9 66.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -55.23 -56.1 23.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -146.74 143.11 28.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.85 -31.54 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -106.59 127.82 53.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.54 144.71 38.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.34 173.28 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -51.93 -60.22 6.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.554 0.692 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.74 -18.38 37.16 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -76.63 -51.59 11.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 7.5 ttp-105 -58.18 -37.49 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.39 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -39.67 -45.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 40' ' ' LEU . 5.6 mt -63.8 -43.77 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.65 -18.0 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.84 -26.16 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -91.99 -53.44 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 21' ' ' ALA . 13.5 mt -72.04 -17.31 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.24 22.36 48.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.2 mt -105.59 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 2.2 t -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.27 -28.44 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -75.57 -19.7 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 17.4 mt-30 -90.3 -50.05 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.0 -23.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -73.13 -55.66 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.08 -30.11 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HE1' ' CD2' ' A' ' 19' ' ' LEU . 49.7 t90 -67.3 -51.5 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.37 -40.69 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.83 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -49.93 -35.6 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.0 mmmt -69.58 -44.4 70.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 7.8 mtp-105 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 13' ' ' ILE . 29.7 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 12' ' ' THR . 39.0 mt -52.82 -17.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -140.0 145.02 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 t -67.89 151.15 47.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -56.42 -36.31 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 t80 -68.59 -51.17 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.626 ' O ' HD13 ' A' ' 44' ' ' LEU . 97.6 mt-30 -60.8 -34.8 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 20.0 mt -72.45 -53.08 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.82 -38.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.603 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -84.8 -41.91 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 40' ' ' LEU . 71.4 mt -58.09 -57.77 11.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.7 -43.19 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -69.08 -21.31 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HG2' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.34 -35.06 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.6 -58.04 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -47.73 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -49.86 -46.76 51.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.55 140.1 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -71.17 -34.9 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -119.7 131.72 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 36' ' ' GLU . 71.7 mt -103.96 142.78 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.42 -176.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -58.47 -60.32 10.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.73 -11.97 31.99 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 32' ' ' LEU . 38.8 mm-40 -83.13 -46.33 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.59 -39.25 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.43 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.05 -45.36 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 32' ' ' LEU . 15.9 mt -66.98 -33.4 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -79.41 -31.35 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.12 -25.47 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -90.94 -55.48 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 18' ' ' GLN . 22.5 mt -71.99 -15.6 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.73 56.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.4 mt -100.62 -179.64 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 ' HG3' ' A' ' 50' ' ' GLN . 11.5 t -112.96 156.3 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 40.5 mt-30 -54.21 -28.4 40.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -74.97 -19.91 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.686 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.4 mt-30 -91.4 -49.94 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 40' ' ' LEU . 16.4 t -67.07 -25.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 23.1 mtpp -69.27 -51.51 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.63 -33.35 61.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 54.7 t90 -65.3 -47.09 77.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.52 -32.36 68.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -70.91 -43.35 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -71.08 -44.65 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -54.89 -42.4 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 13' ' ' ILE . 57.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.8 mt -45.84 -20.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.8 m-85 -138.62 149.49 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -75.51 155.19 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 p -60.57 -35.04 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.48 -43.17 86.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 46' ' ' LEU . 98.3 mt-30 -71.95 -47.68 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 19' ' ' LEU . 12.4 mt -56.82 -55.15 38.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.31 -65.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 mt -53.84 -65.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -48.72 -43.86 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -60.18 -37.81 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -75.53 -39.48 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 9.4 t80 -55.63 -55.71 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -50.08 -50.86 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -50.88 -46.38 60.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -161.37 142.24 11.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' CB ' HH11 ' A' ' 59' ' ' ARG . 19.0 mp0 -82.24 -32.15 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -100.76 135.74 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD22 ' OE2' ' A' ' 36' ' ' GLU . 58.7 mt -116.85 151.86 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . -85.41 160.63 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -37.61 -59.56 1.07 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.588 0.709 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.4 Cg_endo -69.72 -39.17 6.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.305 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.824 ' OE2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.77 -47.86 70.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -63.88 -47.11 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.43 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -52.25 -40.43 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.75 -39.7 69.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.95 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.7 t -76.12 -48.88 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB2' HD12 ' A' ' 46' ' ' LEU . 42.5 mt -84.36 2.09 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.4 21.5 70.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -99.46 -179.72 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 3.9 t -112.5 150.91 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -51.98 -32.76 34.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -69.67 -23.48 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt-30 -89.69 -52.57 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.96 -23.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -72.37 -55.33 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.92 -40.33 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.543 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 29.5 t90 -57.03 -42.19 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 7.5 m-85 -72.89 -47.06 49.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.69 -63.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.77 -31.5 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 26' ' ' PHE . 6.6 mmmt -68.63 -48.73 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 30' ' ' GLN . 26.9 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.495 ' N ' HG22 ' A' ' 12' ' ' THR . 14.5 mt -56.63 -15.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -140.07 139.47 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -60.36 158.91 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -61.62 -36.62 81.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.72 -36.87 83.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.8 mt -70.47 -47.79 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.08 -50.92 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.95 -45.92 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.51 -62.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.74 -45.19 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.62 -45.05 57.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -74.8 -38.26 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 30.6 t80 -49.41 -42.19 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -66.68 -55.4 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -48.88 -49.29 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -155.71 129.26 8.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -77.56 -26.75 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.479 ' CE1' ' HD2' ' A' ' 59' ' ' ARG . 27.1 m-85 -107.31 109.64 21.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 40' ' ' LEU . 14.4 mt -91.78 142.25 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.9 177.74 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -57.98 -59.07 14.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.75 -24.18 30.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.43 -42.99 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.19 -44.75 96.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.3 80.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -45.23 -49.85 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 32' ' ' LEU . 12.5 mt -62.31 -28.42 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -86.96 -14.99 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.73 -30.92 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -91.92 -53.03 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 21' ' ' ALA . 16.7 mt -67.86 -21.61 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.9 16.94 55.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.749 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.0 mt -103.31 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -114.47 146.61 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -43.21 -40.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 52' ' ' LYS . 90.0 m -55.89 -36.35 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.0 -49.82 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 40' ' ' LEU . 4.0 t -64.19 -23.91 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' NZ ' ' HA ' ' A' ' 49' ' ' THR . 5.3 mtmp? -70.47 -47.08 62.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -70.45 -40.9 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 16.5 t90 -55.17 -34.37 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -85.93 -28.56 24.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -72.64 -65.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.5 -29.22 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 10.3 mmmt -69.86 -46.28 65.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 13.8 mtm105 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 13' ' ' ILE . 42.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.9 mp -54.46 -18.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -136.9 142.33 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -62.41 139.74 58.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 p -44.63 -38.49 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.3 t80 -65.54 -54.17 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' NE2' HD21 ' A' ' 46' ' ' LEU . 92.9 mt-30 -57.2 -36.47 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 14.3 mt -71.5 -58.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.21 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -86.61 -43.64 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 51.5 mt -59.06 -54.35 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.41 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -62.66 -39.53 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 60.7 t80 -56.0 -45.9 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.36 -45.55 69.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -56.7 -52.79 63.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -149.07 143.49 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.46 -34.83 65.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -116.05 138.23 51.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 40' ' ' LEU . 43.2 mt -105.25 161.31 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.63 -175.48 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -61.4 -60.11 11.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -31.16 21.01 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.788 ' HG3' HD22 ' A' ' 32' ' ' LEU . 3.2 tp10 -61.91 -53.76 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 6.7 ttp-105 -53.65 -53.53 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.31 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.94 -41.55 92.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 32' ' ' LEU . 11.6 mt -70.43 -33.51 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -74.89 -38.71 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.45 -40.42 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.2 t -73.22 -62.38 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -65.87 -14.52 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.27 50.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.768 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.9 mt -107.45 -179.61 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.426 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 4.3 t -113.68 152.25 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.46 -44.37 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 m -57.98 -25.12 60.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 3.3 mt-30 -88.12 -54.43 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 40' ' ' LEU . 9.2 t -60.58 -25.58 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -72.55 -58.59 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.16 -34.17 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.6 t90 -63.1 -61.93 2.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.63 -31.78 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.56 -36.67 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.51 -60.48 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tppp? -42.33 -55.84 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 12.5 mtp-105 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 13' ' ' ILE . 86.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.738 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -46.92 -20.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -137.17 142.59 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -66.13 148.65 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -52.1 -45.17 64.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -58.48 -48.93 79.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -62.19 -45.88 91.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 54' ' ' TRP . 12.4 mt -61.36 -56.47 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.86 -52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.588 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -68.29 -44.99 74.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.52 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 38.7 mt -53.96 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -51.32 -44.41 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -52.81 -37.22 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -80.47 -48.09 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE1' ' OE1' ' A' ' 30' ' ' GLN . 9.9 t80 -44.57 -54.03 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' LYS . 8.9 pt20 -51.15 -34.18 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tmtm? -73.63 -48.39 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -162.59 153.23 16.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 30.5 mm-40 -98.4 -27.05 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -104.63 93.24 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 40' ' ' LEU . 45.6 mt -79.39 146.89 32.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -72.03 176.87 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 tp -54.97 -59.97 9.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.8 -20.69 34.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 14.6 mm-40 -73.36 -54.54 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.2 ttp-105 -54.07 -45.99 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.14 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.02 -43.59 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 32' ' ' LEU . 9.5 mt -70.96 -30.49 66.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -75.96 -34.98 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.42 -34.36 20.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -77.8 -50.07 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 21' ' ' ALA . 21.5 mt -81.01 -8.39 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 22.23 69.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.8 mt -103.39 -179.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.786 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.7 t -112.47 157.66 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -53.63 -32.53 51.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.4 m -73.06 -18.47 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.786 ' HG3' HG22 ' A' ' 47' ' ' THR . 19.0 mt-30 -91.3 -53.93 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 40' ' ' LEU . 15.7 t -61.86 -24.74 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -70.65 -55.22 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.38 -38.75 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 22' ' ' LEU . 74.1 t90 -57.38 -46.55 83.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.02 -38.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -62.63 -60.55 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.7 -55.29 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.3 OUTLIER -43.36 -53.53 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.4 mtp-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 13' ' ' ILE . 91.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' N ' HG22 ' A' ' 12' ' ' THR . 76.3 mt -46.98 -20.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 13' ' ' ILE . 47.2 m-85 -140.05 137.66 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -62.26 150.16 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 p -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -66.17 -39.14 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.32 -32.3 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -72.87 -59.26 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.9 -50.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -69.58 -50.6 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 41.5 mt -50.67 -57.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.61 -48.72 78.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -49.14 -41.79 37.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -78.8 -40.28 33.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 19.2 t80 -57.56 -52.29 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -54.0 -26.11 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -80.31 -53.24 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -142.47 134.8 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 12.7 mp0 -77.78 -27.97 50.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -108.87 136.62 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.0 mt -118.81 135.37 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.08 -177.3 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -57.46 -60.25 10.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.78 -28.33 25.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -48.53 61.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.3 ttp-105 -65.12 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.51 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.89 -37.07 86.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.724 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -76.51 -21.28 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.44 -30.02 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -88.9 -52.83 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' A' ' 21' ' ' ALA . 28.6 mt -69.71 -21.83 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 13.86 58.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.724 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 4.6 mt -100.23 178.95 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -109.65 158.51 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -54.74 -24.5 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -75.93 -21.26 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -92.24 -43.77 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.56 -20.92 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -75.48 -48.3 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.34 -40.23 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 25.0 t90 -56.74 -43.8 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -72.9 -52.95 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -53.81 -54.71 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -56.51 -38.43 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 21.5 mmtt -61.09 -54.21 47.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.456 ' NE ' ' HG2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 13' ' ' ILE . 79.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 12' ' ' THR . 39.1 mm -47.94 -19.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -137.22 152.49 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -73.05 134.95 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -40.92 -50.46 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -52.04 -52.62 49.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.3 mt-30 -61.55 -51.69 67.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -50.8 -50.71 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.66 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -53.07 -47.37 68.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 23.7 mt -47.96 -63.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -49.14 -49.73 40.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.45 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -73.59 -37.42 65.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.45 -58.22 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -35.79 77.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -67.47 -26.79 66.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' NH2' ' A' ' 25' ' ' ARG . 14.5 t -164.94 135.68 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.66 -25.41 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -124.11 137.99 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 93.5 mt -116.06 136.13 53.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -70.42 -178.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -54.95 -60.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -30.94 21.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 73.9 mm-40 -60.73 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.91 -44.5 96.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.3 -36.8 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -43.06 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -38.02 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.86 -27.19 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.31 -35.47 16.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -81.93 -55.34 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 21' ' ' ALA . 33.4 mt -70.11 -15.02 62.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.98 16.47 69.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.622 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.22 -179.6 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.393 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.3 t -112.29 154.96 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -51.56 -38.53 54.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 m -65.95 -20.69 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.679 ' HG3' HG22 ' A' ' 47' ' ' THR . 12.7 mt-30 -91.73 -51.45 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.15 -22.54 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -72.55 -52.47 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.8 -39.43 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.2 t90 -57.03 -45.53 83.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.0 m-85 -71.08 -38.23 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -59.17 -55.74 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.51 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 5.9 tppt? -46.39 -50.16 16.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.4 mtp-105 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 13' ' ' ILE . 55.5 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.752 0.31 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.7 mm -46.44 -20.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.3 m-85 -140.0 141.4 36.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -64.94 145.29 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 p -49.45 -50.24 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -56.18 -48.84 75.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -61.15 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.497 HD21 ' HE1' ' A' ' 54' ' ' TRP . 10.7 mt -62.71 -55.7 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.9 -52.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.46 -50.42 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 40' ' ' LEU . 24.2 mt -45.78 -59.39 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -58.28 -46.48 85.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -52.59 -35.14 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.652 ' HE ' HD21 ' A' ' 40' ' ' LEU . 17.0 tpp180 -73.99 -48.06 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -52.35 -43.84 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -49.39 -43.89 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -62.96 -48.0 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' TYR . 12.0 t -151.06 144.75 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.92 -30.67 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 29' ' ' THR . 3.3 m-85 -110.52 157.32 19.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 mt -129.52 131.94 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 178.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -57.83 -60.14 10.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -12.28 32.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 5.2 mm-40 -82.19 -46.76 13.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 9.9 ttp-105 -62.6 -49.94 73.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.14 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.76 -49.24 71.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 ' HE ' ' A' ' 25' ' ' ARG . 12.3 mt -65.2 -36.71 85.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.07 -30.08 63.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.12 -24.79 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -88.77 -57.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 29.2 mt -70.78 -19.27 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.63 19.96 39.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.9 mt -101.81 176.82 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.6 t -106.11 155.87 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.46 -26.35 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -76.75 -19.92 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.552 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.1 mt-30 -87.82 -53.19 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 40' ' ' LEU . 10.1 t -60.78 -27.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 32.5 mtpt -70.19 -61.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.42 -29.73 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 36.2 t90 -69.02 -53.08 22.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -65.83 -36.7 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.18 -55.99 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -52.64 -47.63 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tppt? -54.28 -54.82 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 13' ' ' ILE . 61.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.432 ' N ' HG22 ' A' ' 12' ' ' THR . 4.6 mm -44.4 -21.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' THR . 43.2 m-85 -140.07 151.87 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -76.85 156.95 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -57.47 -35.65 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.92 -50.29 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HA ' HD22 ' A' ' 44' ' ' LEU . 97.6 mt-30 -66.13 -38.37 88.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.2 mt -68.62 -57.37 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.11 -38.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -84.89 -41.62 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 54' ' ' TRP . 37.7 mt -60.5 -55.93 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.25 -30.7 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -69.22 -37.63 78.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NH2' ' HG3' ' A' ' 36' ' ' GLU . 11.8 tpt180 -79.7 -38.62 33.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 10.9 t80 -45.54 -57.15 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -54.92 -40.23 69.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.49 -46.81 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -163.08 126.57 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.87 -29.24 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -109.77 130.18 55.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 81.2 mt -111.27 139.38 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.51 -178.74 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -56.3 -60.27 9.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.738 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.78 -27.31 26.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -66.22 -37.39 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 3.7 ttp-105 -69.83 -56.49 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -28.43 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -57.31 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.18 -39.95 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.24 -22.38 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.17 -45.29 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -74.55 -57.2 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.1 mt -65.34 -14.79 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.15 70.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.756 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.2 mt -102.03 176.6 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.845 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.8 t -103.91 160.41 14.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -58.82 -16.81 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 m -89.96 -11.91 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.845 ' HG3' HG22 ' A' ' 47' ' ' THR . 16.1 mt-30 -94.96 -43.84 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.19 -20.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -75.32 -48.29 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 -35.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 25.1 t90 -62.38 -48.23 80.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.0 m-85 -68.99 -38.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.44 -62.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.08 -24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 7.6 mmmt -75.29 -48.0 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 13' ' ' ILE . 46.5 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.731 0.301 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 12' ' ' THR . 56.9 mt -48.43 -18.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.413 ' CD1' HG22 ' A' ' 13' ' ' ILE . 42.9 m-85 -140.1 139.54 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -67.0 152.63 45.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -53.71 -40.16 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.03 -48.84 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.89 -36.9 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -69.1 -61.17 1.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.98 -43.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -77.58 -48.88 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 28.3 mt -49.81 -58.95 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -56.29 -42.05 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -50.02 -49.55 50.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -74.47 -40.25 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.5 t80 -53.99 -57.75 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -46.79 -47.89 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -153.72 137.37 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 26' ' ' PHE . 7.1 mm100 -82.05 -16.68 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.47 133.93 55.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 86.2 mt -119.22 142.22 48.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.28 -175.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -60.53 -60.37 10.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.69 -27.67 26.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.04 -47.42 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 7.4 ttp-105 -62.38 -46.67 87.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.33 70.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -55.15 -47.19 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.43 -35.84 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.97 -37.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.93 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.7 m -82.63 -57.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 21' ' ' ALA . 23.4 mt -74.02 -9.41 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.8 26.88 55.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.632 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 mt -109.25 176.97 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.894 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.7 t -106.04 158.01 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -54.96 -33.0 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -72.84 -13.6 61.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.894 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.1 mt-30 -94.8 -50.45 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.77 -21.85 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -73.74 -54.28 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.64 -37.91 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 44.2 t90 -59.7 -47.87 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.9 m-85 -69.22 -22.24 63.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -79.73 -56.47 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.4 -27.98 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.9 mmtt -71.5 -43.37 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.771 0.319 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.787 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.6 mp -52.23 -16.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -137.89 136.76 37.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 m -62.69 155.08 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 p -56.06 -47.44 77.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.46 -36.54 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' HD21 ' A' ' 46' ' ' LEU . 84.8 mt-30 -76.28 -38.66 55.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.0 mt -68.88 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.08 -56.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -66.71 -47.19 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -48.86 -63.06 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.94 -45.51 74.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -48.97 -36.56 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' NH1' HD21 ' A' ' 40' ' ' LEU . 3.2 tpt180 -76.78 -42.16 41.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -55.1 -38.69 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.7 -45.24 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -60.17 -53.86 52.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -147.56 148.06 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -80.47 -31.94 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.07 145.64 35.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 26.8 mt -121.98 138.83 54.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -71.08 177.28 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.75 -60.31 9.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 52.7 Cg_endo -69.84 -21.13 33.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -71.11 -48.9 49.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -61.85 -45.29 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.71 -46.62 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.14 -52.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD21 ' NH1' ' A' ' 25' ' ' ARG . 10.4 mt -55.68 -42.15 74.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.81 -23.96 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.78 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 m -84.96 -53.17 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.0 mt -69.87 -6.16 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.44 16.0 75.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.755 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -100.31 179.44 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.9 t -111.94 156.5 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -50.34 -41.71 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 m -61.07 -22.07 64.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' A' ' 47' ' ' THR . 13.6 mt-30 -91.47 -49.22 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.61 -22.25 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.61 -43.57 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -72.0 -39.4 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.2 t90 -56.88 -36.27 69.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.0 m-85 -80.98 -45.58 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -55.36 -58.63 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -52.75 -57.16 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 5.1 tptp -40.37 -51.72 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -125.42 -61.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -93.15 -55.26 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.82 110.5 1.15 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -75.36 87.68 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.823 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -126.77 154.37 44.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.68 151.18 6.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 19.2 ttp-105 -129.41 122.57 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HE2' HD13 ' A' ' 13' ' ' ILE . 18.8 pttt -150.03 145.07 18.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.58 26.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' THR . 17.3 tpt180 -82.01 90.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ARG . 31.2 m -34.46 151.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.543 HD13 ' HE2' ' A' ' 9' ' ' LYS . 48.4 mm -50.33 -17.53 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -140.02 144.04 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -70.63 163.93 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -64.66 -38.47 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.44 -46.79 84.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' CD ' HD21 ' A' ' 46' ' ' LEU . 98.0 mt-30 -68.37 -43.15 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.1 mt -62.42 -59.13 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.04 -62.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -60.24 -45.74 92.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.3 mt -53.7 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.32 -40.09 64.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.03 -24.88 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -90.85 -36.33 14.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HZ ' HD11 ' A' ' 62' ' ' ILE . 22.7 t80 -62.32 -48.99 77.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -49.07 -34.63 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -70.21 -43.01 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -160.2 145.13 14.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -77.01 -32.89 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.29 144.9 31.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 mt -124.49 128.35 48.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB3' ' OE2' ' A' ' 36' ' ' GLU . . . -57.78 -177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -59.94 -60.06 11.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.78 -16.32 37.41 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' OE2' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -79.91 -46.61 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.4 ttp-105 -68.57 -35.1 76.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.85 -28.65 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.24 -41.76 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 51' ' ' VAL . 8.6 mt -69.47 -39.14 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.61 -36.07 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.77 -32.52 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -82.89 -59.89 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 14.3 mt -66.97 -15.9 64.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 15.94 61.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.74 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.44 179.95 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.2 t -111.89 158.82 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -55.56 -29.47 59.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 47' ' ' THR . 31.4 mt-30 -89.72 -50.95 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.9 t -64.18 -22.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -74.77 -52.12 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -64.83 -30.27 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.0 t90 -68.39 -43.28 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.09 -35.39 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.71 -57.35 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -50.49 -54.71 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -43.52 -55.5 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' HA ' HD11 ' A' ' 62' ' ' ILE . 52.5 mtp180 -41.92 -37.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t -77.33 -35.16 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' LYS . 19.5 mmtp -109.44 45.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.571 HD11 ' HZ ' ' A' ' 26' ' ' PHE . 15.4 mm -71.4 107.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -35.42 -35.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' H ' HG22 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -74.03 132.19 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 2.6 t -90.64 142.72 27.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.93 -76.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.528 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -30.53 22.37 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 145.56 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.5 p -75.33 178.28 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -102.3 42.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p 39.75 41.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.88 131.87 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -142.9 155.83 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -110.66 -62.93 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.08 -127.37 7.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.48 154.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.75 145.36 2.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.38 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -120.4 142.39 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ILE . 59.7 m -61.34 158.56 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' THR . 62.8 mt -48.79 -18.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.84 149.0 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -75.95 161.15 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 p -60.01 -44.28 94.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 9.0 t80 -60.25 -58.27 9.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.998 ' OE1' HD21 ' A' ' 46' ' ' LEU . 60.3 mt-30 -55.39 -40.47 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -64.97 -59.38 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.33 -54.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.9 -44.17 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.482 HD21 HG22 ' A' ' 51' ' ' VAL . 17.5 mt -50.8 -61.64 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.58 -43.59 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -52.42 -33.84 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' CZ ' HD21 ' A' ' 40' ' ' LEU . 11.0 tpp85 -87.99 -35.42 17.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 40.9 t80 -64.11 -40.93 97.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.49 -34.76 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -69.47 -47.09 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 t -150.23 133.17 16.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.02 -32.59 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -113.14 129.83 56.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 36' ' ' GLU . 18.1 mt -107.84 132.19 53.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.76 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -55.83 -60.24 9.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -29.09 24.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.802 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -66.26 -42.86 87.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HD3' ' CG ' ' A' ' 52' ' ' LYS . 23.8 ttm180 -67.71 -38.61 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.28 92.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.39 -41.98 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 32' ' ' LEU . 16.4 mt -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.96 -24.56 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.47 -43.42 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.6 m -76.05 -61.01 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 11.6 mt -64.96 -9.58 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.11 78.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.998 HD21 ' OE1' ' A' ' 18' ' ' GLN . 7.0 mt -99.05 -179.84 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 ' HG3' ' A' ' 50' ' ' GLN . 12.9 t -113.97 152.36 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -49.29 -44.38 43.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -59.26 -22.6 61.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.703 ' HG3' HG22 ' A' ' 47' ' ' THR . 7.3 mt-30 -89.48 -56.21 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.482 HG22 HD21 ' A' ' 22' ' ' LEU . 10.6 t -62.76 -23.83 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 37' ' ' ARG . 52.0 mtpt -72.87 -50.96 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.28 -41.92 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.691 ' CZ2' ' CE ' ' A' ' 58' ' ' LYS . 32.7 t90 -53.27 -40.54 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -74.28 -36.2 63.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -66.34 -45.62 79.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.39 -62.22 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.691 ' CE ' ' CZ2' ' A' ' 54' ' ' TRP . 1.4 tppt? -38.62 -59.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -38.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -66.78 -39.13 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' LYS . 6.7 mmpt? -74.56 -5.09 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.404 HD11 ' CE2' ' A' ' 26' ' ' PHE . 3.6 mt -90.5 115.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? 74.26 44.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' SER . 15.4 ttpp -87.5 154.17 20.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 89.4 p -58.07 100.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.2 82.64 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.323 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' PRO . 21.2 p 37.27 42.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.5 p -76.9 83.53 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 t -72.36 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -173.66 176.57 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.49 105.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -172.6 140.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -129.37 105.08 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.97 -150.02 8.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -102.15 44.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ptpp? -121.05 152.76 57.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.517 0.675 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.03 13.26 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 65.67 49.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -139.98 151.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.4 mm -51.97 -16.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -139.99 148.64 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 t -71.55 152.43 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 p -58.97 -38.45 79.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.85 -41.64 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -72.77 -38.45 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.1 mt -69.59 -49.09 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.41 -47.2 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.94 -42.87 47.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 40.9 mt -56.95 -62.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.65 -24.68 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -78.63 -36.6 43.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HE ' HD21 ' A' ' 40' ' ' LEU . 18.8 tpp180 -77.84 -40.24 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 62' ' ' ILE . 21.4 t80 -50.35 -45.88 55.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -55.09 -47.38 75.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -54.76 -51.31 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 t -157.59 139.88 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -76.42 -22.95 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -117.97 128.09 54.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 24.7 mt -106.79 148.01 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.4 -174.97 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.86 -60.3 9.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -50.65 -42.48 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -69.03 -41.28 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.6 81.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.75 -44.37 48.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 51' ' ' VAL . 6.5 mt -68.16 -38.12 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.58 -21.78 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.79 -38.21 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.3 m -82.66 -56.88 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 21' ' ' ALA . 18.7 mt -65.94 -20.84 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 18.03 56.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.744 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -100.11 177.34 5.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.749 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.1 t -108.64 157.63 18.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -53.51 -31.27 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.457 ' H ' HG23 ' A' ' 47' ' ' THR . 4.9 m -74.22 -18.95 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.749 ' HG3' HG22 ' A' ' 47' ' ' THR . 17.9 mt-30 -89.85 -54.43 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 40' ' ' LEU . 12.5 t -60.4 -26.51 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -71.22 -57.24 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.07 -36.81 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.445 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 59.4 t90 -60.54 -49.62 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.6 m-85 -66.37 -41.76 88.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -48.94 76.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -57.23 -54.0 51.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HE2' ' CH2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -47.58 -48.1 28.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -45.96 -45.64 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 t -65.32 -24.69 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 51.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.413 HD11 ' CE2' ' A' ' 26' ' ' PHE . 3.6 mt -136.3 148.66 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt 71.76 39.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -95.13 151.58 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -76.61 99.94 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.65 153.91 16.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.445 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -161.47 143.1 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -90.06 -49.5 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -57.89 -44.93 87.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -169.36 145.84 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.71 72.89 0.37 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -130.4 155.61 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -149.07 114.43 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.95 -134.49 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.35 120.62 39.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -126.6 143.94 48.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -26.57 27.67 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -128.72 126.42 40.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 13' ' ' ILE . 47.4 m -111.3 158.68 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' N ' HG22 ' A' ' 12' ' ' THR . 43.7 mt -51.02 -18.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -139.99 147.73 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 t -69.99 154.45 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -55.83 -36.59 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -66.55 -49.51 66.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.975 ' OE1' HD21 ' A' ' 46' ' ' LEU . 81.5 mt-30 -64.81 -35.55 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' CD2' ' HE1' ' A' ' 54' ' ' TRP . 12.6 mt -71.99 -54.69 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.78 -46.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -75.97 -50.26 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HG ' HD13 ' A' ' 44' ' ' LEU . 56.8 mt -49.84 -59.04 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.93 -39.79 78.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -64.23 -26.89 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -86.47 -36.06 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -57.28 -44.44 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.33 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -52.14 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -137.22 154.59 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -87.74 -31.86 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 74.6 m-85 -118.4 150.83 38.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.32 142.91 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.64 -178.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.5 tp -59.16 -60.27 11.1 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.72 -27.97 26.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.47 -53.31 36.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -56.65 -40.48 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.65 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.63 -42.62 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.25 -39.75 82.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -66.78 -43.03 85.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.67 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.9 m -73.84 -60.29 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD13 ' HG ' ' A' ' 22' ' ' LEU . 18.7 mt -67.47 -12.98 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.76 16.79 67.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.975 HD21 ' OE1' ' A' ' 18' ' ' GLN . 4.7 mt -101.65 177.35 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.868 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.7 t -107.12 161.12 15.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -57.59 -25.45 60.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.493 ' H ' HG23 ' A' ' 47' ' ' THR . 3.3 m -81.67 -12.97 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.868 ' HG3' HG22 ' A' ' 47' ' ' THR . 22.2 mt-30 -96.14 -42.8 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.63 -20.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -74.58 -48.13 28.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -67.36 -42.54 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 40.4 t90 -55.17 -46.13 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -68.92 -54.21 16.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -46.63 -63.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -49.83 -48.08 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.569 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 9.7 tptt -49.28 -45.66 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 8.5 mtp-105 -56.46 -38.48 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -58.5 -42.16 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -30.28 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 97.0 mt -41.06 106.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 137.84 32.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.76 147.6 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -82.79 129.11 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.25 145.63 6.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.2 p -62.68 149.12 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.6 t -105.3 143.63 33.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -102.27 172.31 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -114.03 153.38 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.73 99.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 28.5 t -65.14 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 64.9 m -35.9 142.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.04 67.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -95.62 92.63 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -147.25 160.42 39.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -11.12 30.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.32 113.94 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 48.7 m -76.88 155.98 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.5 mm -48.83 -18.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -140.01 147.14 39.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.7 m -74.01 152.62 39.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -53.82 -39.27 65.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -62.5 -49.16 76.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' A' ' 46' ' ' LEU . 94.1 mt-30 -66.73 -38.14 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -67.41 -58.51 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.02 -52.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -69.99 -49.08 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 54' ' ' TRP . 15.3 mt -48.62 -62.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -54.32 -44.83 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -49.19 -33.86 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG2' HD11 ' A' ' 32' ' ' LEU . 10.5 tpt180 -83.39 -41.76 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -46.94 -46.14 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -65.56 -39.31 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.67 -52.22 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.95 137.02 14.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -66.5 -31.73 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.42 151.22 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 40' ' ' LEU . 13.1 mt -125.51 140.19 52.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 174.9 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -55.64 -60.29 8.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.79 -25.31 28.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.619 2.213 . . . . 0.0 112.384 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HB3' HD22 ' A' ' 32' ' ' LEU . 77.6 mm-40 -69.27 -43.1 74.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -67.75 -40.26 84.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.91 71.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.4 -45.23 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 32' ' ' LEU . 14.5 mt -63.7 -35.55 80.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.93 -28.63 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.67 -44.35 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -72.74 -57.34 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 21' ' ' ALA . 17.6 mt -67.9 -12.78 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 24.14 64.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.815 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.6 mt -106.28 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' HG3' ' A' ' 50' ' ' GLN . 7.3 t -108.16 158.52 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -55.1 -29.48 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 m -73.41 -16.84 61.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.545 ' HG3' HG22 ' A' ' 47' ' ' THR . 21.5 mt-30 -93.56 -48.93 6.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' A' ' 40' ' ' LEU . 25.3 t -69.12 -24.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -69.27 -47.44 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.9 mt -69.09 -45.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CD1' HD13 ' A' ' 22' ' ' LEU . 43.1 t90 -50.5 -39.61 49.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -77.09 -43.91 32.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.48 -59.45 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.2 m-80 -51.08 -61.46 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tptp -36.01 -48.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 23.4 mtp180 -56.24 -44.5 79.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' ASN . 49.6 p -63.1 -32.92 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 6.7 ttpm? -68.94 -33.57 73.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 59' ' ' ARG . 86.5 mt -40.85 104.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 ptpt -41.12 -41.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 3.5 mtpm? -61.53 123.77 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -92.72 141.56 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.05 175.58 15.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -159.94 116.99 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 m -126.64 42.07 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.532 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 p -161.59 119.69 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.83 -40.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' SER . 67.7 m -82.03 82.21 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 96.2 p -36.47 -44.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.76 76.18 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -113.09 102.22 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.66 143.99 36.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 149.79 66.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 60.85 46.03 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 13' ' ' ILE . 56.1 m -40.02 157.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.4 mp -48.84 -18.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.98 142.46 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -66.63 144.97 56.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 p -49.81 -47.19 51.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.62 -43.38 93.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.09 -38.09 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -68.57 -55.89 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.67 -50.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.32 -50.54 31.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 54' ' ' TRP . 24.4 mt -47.9 -58.56 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.86 -38.34 75.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -55.68 -48.8 74.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -72.58 -43.3 63.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.8 t80 -42.49 -49.0 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -58.34 -48.06 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.41 -58.68 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -152.01 138.92 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -70.62 -33.98 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -106.01 143.39 34.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -124.22 138.67 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 169.72 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -43.88 -60.29 2.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -40.49 5.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 54.8 mm-40 -51.79 -44.95 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -67.97 -46.28 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.33 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.84 -49.21 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 51' ' ' VAL . 12.2 mt -63.17 -34.27 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.16 -39.88 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.2 36.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.2 m -84.16 -56.37 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD21 ' CB ' ' A' ' 21' ' ' ALA . 24.5 mt -74.28 -10.69 59.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.98 15.62 69.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.76 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -101.05 175.28 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.66 HG22 ' HG3' ' A' ' 50' ' ' GLN . 10.3 t -106.56 161.06 14.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -54.63 -32.28 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 m -72.49 -17.77 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.66 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.7 mt-30 -91.01 -53.95 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 40' ' ' LEU . 14.4 t -61.99 -25.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -70.79 -56.42 6.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.03 -39.72 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 58.9 t90 -56.25 -51.97 66.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -64.59 -48.56 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -53.47 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -52.33 -32.21 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 22.1 mmtt -70.62 -45.39 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -47.5 -49.08 26.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.6 t -50.26 -44.24 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -55.68 -35.42 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.7 mt -49.14 98.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -66.56 122.5 17.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -96.39 163.93 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.2 p -82.33 140.09 33.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.17 83.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.39 3.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.5 p -72.42 148.65 44.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 t -96.25 142.65 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 63.63 42.38 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -121.43 112.78 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.55 120.12 5.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -168.04 128.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 p -102.7 178.86 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.65 124.35 7.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.424 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.69 -45.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -49.31 153.65 1.71 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.645 0.736 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -41.57 4.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.46 138.72 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 13' ' ' ILE . 39.9 m -70.38 156.38 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 12' ' ' THR . 42.3 mm -50.57 -17.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -139.43 131.28 27.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.1 m -59.04 147.87 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.4 p -53.68 -28.51 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -74.43 -42.69 58.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.08 -33.01 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 13.2 mt -74.99 -56.08 5.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.88 -40.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.69 -48.11 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 38.7 mt -50.45 -54.5 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.8 -46.02 92.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -53.22 -26.64 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.64 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.3 tpp180 -89.8 -40.98 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.45 -54.8 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.79 -45.59 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -56.08 -55.54 31.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -143.03 130.14 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.53 -33.89 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -115.39 149.47 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.866 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.3 mt -117.59 137.22 52.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 164.38 12.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -49.73 -60.34 5.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 -17.53 37.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.98 -56.73 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 52' ' ' LYS . 3.8 ttm105 -59.16 -38.37 79.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.69 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.78 -47.72 79.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' HE ' ' A' ' 25' ' ' ARG . 9.6 mt -55.87 -39.99 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.18 -38.86 75.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 -21.82 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -91.65 -58.53 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -69.85 -5.56 26.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.25 79.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.646 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.7 mt -100.66 -179.68 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.815 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.6 t -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.43 -25.23 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 53' ' ' ILE . 4.1 m -80.09 -10.63 59.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.815 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.9 mt-30 -95.97 -49.95 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 37' ' ' ARG . 79.5 t -66.8 -23.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 6.3 mtpm? -70.84 -57.9 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 49' ' ' THR . 16.1 mt -57.74 -47.2 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 47.6 t90 -49.51 -47.52 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.866 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.4 m-85 -70.56 -39.43 73.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 39.2 tt0 -61.99 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -48.35 -48.42 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -51.88 -54.2 31.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.789 ' HA ' HD11 ' A' ' 62' ' ' ILE . 24.9 mtm105 -66.32 -16.39 64.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -95.72 -11.77 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -111.36 30.91 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.789 HD11 ' HA ' ' A' ' 59' ' ' ARG . 16.3 mt -88.62 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -40.47 -61.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 156.24 17.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.0 t -61.7 138.78 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.84 174.93 48.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.3 44.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.0 p -118.56 42.52 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 m 44.01 41.71 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -147.74 115.58 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -163.8 165.24 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.93 -161.12 9.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t 51.07 41.61 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -67.73 173.17 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.39 -168.39 48.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -139.53 170.54 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -113.96 154.89 45.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -3.74 12.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -143.83 129.77 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' ILE . 32.6 m -99.32 161.31 13.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.9 mp -56.01 -16.82 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -139.69 136.94 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -61.75 149.52 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 p -52.82 -40.82 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.9 -48.13 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.903 ' OE1' HD21 ' A' ' 46' ' ' LEU . 89.5 mt-30 -63.96 -36.21 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.7 mt -70.52 -50.93 32.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.5 -36.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -86.73 -46.07 10.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 54' ' ' TRP . 34.8 mt -52.3 -50.46 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.68 -28.28 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -71.63 -38.29 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -80.97 -34.84 32.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.9 t80 -57.02 -53.85 53.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -55.59 -42.76 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -59.57 -55.04 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -150.13 137.77 19.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -74.3 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -105.57 141.61 36.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.45 138.83 54.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.971 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -66.16 175.58 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -51.75 -60.37 6.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.7 -29.96 23.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 6.0 mm-40 -62.72 -48.11 80.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -64.19 -40.94 97.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.32 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.42 -38.6 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 40' ' ' LEU . 6.4 mt -73.17 -38.18 66.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -70.37 -30.48 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.48 -44.29 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.2 t -69.3 -51.95 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 21' ' ' ALA . 19.9 mt -75.57 -23.37 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.5 16.0 51.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.903 HD21 ' OE1' ' A' ' 18' ' ' GLN . 6.0 mt -99.49 179.04 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 50' ' ' GLN . 10.1 t -109.06 151.97 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -50.62 -34.93 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.84 -28.28 68.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 mt-30 -86.36 -47.54 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.45 -25.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.53 -55.19 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.2 -40.1 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.452 ' CD1' HD13 ' A' ' 22' ' ' LEU . 14.8 t90 -56.26 -40.08 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -77.61 -47.45 19.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.69 -65.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -49.33 -30.34 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 8.5 mmtm -68.06 -45.11 74.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.6 mtp-105 -54.77 -48.26 72.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.0 m -56.09 -33.67 65.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 64' ' ' LYS . 24.6 mt -46.43 95.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -66.75 -53.18 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 62' ' ' ILE . 23.3 pttm -68.81 173.57 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 m -103.37 155.16 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.82 -94.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.54 28.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -110.44 159.67 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 t -154.73 149.47 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -129.27 41.02 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -74.74 -52.44 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.49 -167.9 12.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -106.77 -49.97 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.392 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 68.44 42.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.53 52.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -61.16 -59.22 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 154.27 44.39 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.07 34.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -126.69 149.38 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' ILE . 50.2 m -73.84 156.07 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' THR . 41.1 mm -48.64 -18.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -139.99 142.59 36.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -65.67 152.72 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.3 p -55.62 -36.74 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.91 -44.57 84.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 46' ' ' LEU . 97.5 mt-30 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 19' ' ' LEU . 12.8 mt -65.86 -53.16 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -37.31 -51.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.77 -50.24 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 16.7 mt -47.93 -61.06 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -54.48 -48.22 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -47.86 -44.36 29.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -75.67 -40.2 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' A' ' 62' ' ' ILE . 15.9 t80 -50.68 -54.97 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -53.42 -49.9 66.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -55.23 -56.1 23.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -146.74 143.11 28.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.85 -31.54 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -106.59 127.82 53.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.54 144.71 38.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -72.34 173.28 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -51.93 -60.22 6.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.554 0.692 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.74 -18.38 37.16 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -76.63 -51.59 11.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 7.5 ttp-105 -58.18 -37.49 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.39 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -39.67 -45.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 40' ' ' LEU . 5.6 mt -63.8 -43.77 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -72.65 -18.0 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.84 -26.16 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -91.99 -53.44 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 21' ' ' ALA . 13.5 mt -72.04 -17.31 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.24 22.36 48.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.2 mt -105.59 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 2.2 t -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -54.27 -28.44 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -75.57 -19.7 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 17.4 mt-30 -90.3 -50.05 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.0 -23.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -73.13 -55.66 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.08 -30.11 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HE1' ' CD2' ' A' ' 19' ' ' LEU . 49.7 t90 -67.3 -51.5 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -64.37 -40.69 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.83 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -49.93 -35.6 24.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.0 mmmt -69.58 -44.4 70.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 7.8 mtp-105 -57.47 -35.36 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -71.58 -10.19 59.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -103.52 25.26 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 63' ' ' LYS . 4.1 mt -126.05 171.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.664 ' H ' HG22 ' A' ' 62' ' ' ILE . 38.5 mtpt -78.17 49.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -109.6 132.33 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.5 p -71.23 131.42 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.03 146.21 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.46 19.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 m -126.54 163.65 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -38.83 -50.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -110.37 131.17 55.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -63.2 -53.54 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.09 -157.82 15.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -73.96 123.21 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -97.37 -58.97 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.03 175.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 66.1 41.63 3.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -110.45 144.48 30.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.2 66.39 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' THR . 14.9 mmm180 -41.98 122.42 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 13' ' ' ILE . 29.7 m -37.11 155.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 12' ' ' THR . 39.0 mt -52.82 -17.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -140.0 145.02 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 t -67.89 151.15 47.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -56.42 -36.31 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 t80 -68.59 -51.17 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.626 ' O ' HD13 ' A' ' 44' ' ' LEU . 97.6 mt-30 -60.8 -34.8 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 20.0 mt -72.45 -53.08 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.82 -38.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -84.8 -41.91 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 40' ' ' LEU . 71.4 mt -58.09 -57.77 11.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.7 -43.19 84.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -69.08 -21.31 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HG2' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -88.34 -35.06 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.6 -58.04 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.63 -47.73 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -49.86 -46.76 51.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.55 140.1 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 62' ' ' ILE . 32.3 mt-30 -71.17 -34.9 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -119.7 131.72 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 36' ' ' GLU . 71.7 mt -103.96 142.78 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.42 -176.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -58.47 -60.32 10.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.73 -11.97 31.99 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 32' ' ' LEU . 38.8 mm-40 -83.13 -46.33 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.59 -39.25 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.43 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.05 -45.36 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 32' ' ' LEU . 15.9 mt -66.98 -33.4 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -79.41 -31.35 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.12 -25.47 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -90.94 -55.48 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 18' ' ' GLN . 22.5 mt -71.99 -15.6 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.73 56.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.4 mt -100.62 -179.64 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 ' HG3' ' A' ' 50' ' ' GLN . 11.5 t -112.96 156.3 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 40.5 mt-30 -54.21 -28.4 40.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -74.97 -19.91 59.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.686 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.4 mt-30 -91.4 -49.94 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 40' ' ' LEU . 16.4 t -67.07 -25.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 23.1 mtpp -69.27 -51.51 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.63 -33.35 61.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 54.7 t90 -65.3 -47.09 77.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.52 -32.36 68.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -70.91 -43.35 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -71.08 -44.65 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -54.89 -42.4 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -62.03 -36.13 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.5 t -74.82 0.05 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -0.59 15.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.471 ' CD1' ' OE1' ' A' ' 30' ' ' GLN . 76.5 mt -60.26 106.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -41.49 110.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -96.99 161.24 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -86.22 150.15 24.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.19 -157.81 27.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.94 8.48 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.743 2.295 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -41.66 102.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t 42.04 42.83 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -145.78 160.12 42.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.827 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -61.03 133.16 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.71 147.82 20.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -128.69 137.6 51.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -87.73 -43.48 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.59 162.9 12.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -139.6 169.98 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -123.73 147.99 55.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.688 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.29 6.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -57.81 93.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 13' ' ' ILE . 57.1 m -100.52 154.23 18.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.8 mt -45.84 -20.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.8 m-85 -138.62 149.49 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -75.51 155.19 36.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 p -60.57 -35.04 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.48 -43.17 86.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 46' ' ' LEU . 98.3 mt-30 -71.95 -47.68 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 19' ' ' LEU . 12.4 mt -56.82 -55.15 38.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.31 -65.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 mt -53.84 -65.84 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -48.72 -43.86 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -60.18 -37.81 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -75.53 -39.48 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 58' ' ' LYS . 9.4 t80 -55.63 -55.71 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -50.08 -50.86 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -50.88 -46.38 60.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -161.37 142.24 11.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' CB ' HH11 ' A' ' 59' ' ' ARG . 19.0 mp0 -82.24 -32.15 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -100.76 135.74 41.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD22 ' OE2' ' A' ' 36' ' ' GLU . 58.7 mt -116.85 151.86 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LEU . . . -85.41 160.63 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -37.61 -59.56 1.07 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.588 0.709 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.4 Cg_endo -69.72 -39.17 6.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.305 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.824 ' OE2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.77 -47.86 70.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -63.88 -47.11 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.43 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -52.25 -40.43 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.75 -39.7 69.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.95 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.7 t -76.12 -48.88 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB2' HD12 ' A' ' 46' ' ' LEU . 42.5 mt -84.36 2.09 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.4 21.5 70.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 8.6 mt -99.46 -179.72 4.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 3.9 t -112.5 150.91 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -51.98 -32.76 34.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -69.67 -23.48 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt-30 -89.69 -52.57 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.96 -23.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -72.37 -55.33 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.92 -40.33 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.543 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 29.5 t90 -57.03 -42.19 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 7.5 m-85 -72.89 -47.06 49.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.69 -63.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.77 -31.5 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HE3' ' CD2' ' A' ' 26' ' ' PHE . 6.6 mmmt -68.63 -48.73 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.404 HH11 ' CB ' ' A' ' 30' ' ' GLN . 26.9 mtp85 -43.54 -48.24 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -50.79 -48.55 59.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -43.04 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.439 HD11 ' CE2' ' A' ' 26' ' ' PHE . 63.4 mt -47.05 95.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.82 132.87 46.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -75.83 130.7 38.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -86.17 150.4 24.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.33 82.18 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 177.7 5.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.686 2.258 . . . . 0.0 112.376 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.1 p -49.32 122.66 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.22 53.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -111.77 142.57 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.828 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -109.91 118.87 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.27 65.41 1.87 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -118.87 -45.6 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 88.0 p 42.5 39.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.4 82.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -144.76 122.57 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 13.0 tppt? -172.49 137.1 0.85 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.75 -49.77 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -120.11 94.34 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.0 m -82.63 159.62 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.495 ' N ' HG22 ' A' ' 12' ' ' THR . 14.5 mt -56.63 -15.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -140.07 139.47 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -60.36 158.91 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -61.62 -36.62 81.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -66.72 -36.87 83.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.8 mt -70.47 -47.79 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.08 -50.92 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -71.95 -45.92 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.51 -62.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.74 -45.19 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.62 -45.05 57.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -74.8 -38.26 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 30.6 t80 -49.41 -42.19 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -66.68 -55.4 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -48.88 -49.29 40.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -155.71 129.26 8.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -77.56 -26.75 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.479 ' CE1' ' HD2' ' A' ' 59' ' ' ARG . 27.1 m-85 -107.31 109.64 21.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 40' ' ' LEU . 14.4 mt -91.78 142.25 27.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.9 177.74 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -57.98 -59.07 14.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.75 -24.18 30.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.43 -42.99 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.19 -44.75 96.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.3 80.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -45.23 -49.85 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 32' ' ' LEU . 12.5 mt -62.31 -28.42 69.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -86.96 -14.99 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.73 -30.92 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.1 t -91.92 -53.03 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 21' ' ' ALA . 16.7 mt -67.86 -21.61 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.9 16.94 55.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.749 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.0 mt -103.31 -179.56 3.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -114.47 146.61 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -43.21 -40.89 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 52' ' ' LYS . 90.0 m -55.89 -36.35 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.0 -49.82 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 40' ' ' LEU . 4.0 t -64.19 -23.91 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' NZ ' ' HA ' ' A' ' 49' ' ' THR . 5.3 mtmp? -70.47 -47.08 62.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -70.45 -40.9 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 16.5 t90 -55.17 -34.37 63.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -85.93 -28.56 24.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -72.64 -65.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.5 -29.22 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 10.3 mmmt -69.86 -46.28 65.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 13.8 mtm105 -59.78 -46.52 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -51.05 -49.52 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -53.32 -42.46 66.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' LYS . 50.3 mm -34.29 -48.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -68.01 127.19 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -94.88 124.26 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.6 p -93.57 153.98 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.16 -94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 146.22 59.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -102.86 150.46 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -87.53 -53.81 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -122.83 138.62 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -70.95 -60.22 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.46 163.4 11.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -133.11 -59.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -166.41 139.27 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 -175.42 44.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.543 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -123.69 111.25 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -162.05 137.11 5.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -126.26 152.56 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 13' ' ' ILE . 42.5 m -137.37 163.44 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.9 mp -54.46 -18.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -136.9 142.33 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -62.41 139.74 58.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 p -44.63 -38.49 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.3 t80 -65.54 -54.17 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' NE2' HD21 ' A' ' 46' ' ' LEU . 92.9 mt-30 -57.2 -36.47 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' ALA . 14.3 mt -71.5 -58.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.21 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -86.61 -43.64 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 51.5 mt -59.06 -54.35 48.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.41 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -62.66 -39.53 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 58' ' ' LYS . 60.7 t80 -56.0 -45.9 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.36 -45.55 69.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -56.7 -52.79 63.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -149.07 143.49 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.46 -34.83 65.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -116.05 138.23 51.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 40' ' ' LEU . 43.2 mt -105.25 161.31 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.63 -175.48 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.7 tp -61.4 -60.11 11.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.77 -31.16 21.01 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.788 ' HG3' HD22 ' A' ' 32' ' ' LEU . 3.2 tp10 -61.91 -53.76 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 6.7 ttp-105 -53.65 -53.53 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.31 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.94 -41.55 92.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.854 HD11 HD11 ' A' ' 32' ' ' LEU . 11.6 mt -70.43 -33.51 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -74.89 -38.71 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.45 -40.42 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.2 t -73.22 -62.38 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 22.5 mt -65.87 -14.52 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.27 50.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.768 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.9 mt -107.45 -179.61 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.426 ' CG2' ' HG3' ' A' ' 50' ' ' GLN . 4.3 t -113.68 152.25 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.46 -44.37 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 m -57.98 -25.12 60.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' HG3' ' CG2' ' A' ' 47' ' ' THR . 3.3 mt-30 -88.12 -54.43 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 40' ' ' LEU . 9.2 t -60.58 -25.58 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -72.55 -58.59 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.16 -34.17 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.6 t90 -63.1 -61.93 2.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.63 -31.78 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.56 -36.67 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.51 -60.48 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 2.7 tppp? -42.33 -55.84 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 12.5 mtp-105 -42.76 -34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 t -80.27 -32.91 38.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -122.81 43.49 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' LYS . 58.5 mt -58.08 -58.19 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -78.13 85.28 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -62.48 134.94 57.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -84.3 102.85 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.85 72.04 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.85 12.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.7 p -101.66 153.72 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 p -82.06 42.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -111.89 99.98 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -131.36 41.78 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.96 53.59 26.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -94.14 84.7 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -111.03 83.23 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.32 -125.15 0.71 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -62.24 -53.96 47.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 9.3 tptt 45.9 54.96 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.545 0.688 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.74 -49.62 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 10' ' ' PRO . 12.5 mmt-85 -123.94 -62.28 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 13' ' ' ILE . 86.9 m -160.3 158.69 30.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.738 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -46.92 -20.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -137.17 142.59 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -66.13 148.65 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -52.1 -45.17 64.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -58.48 -48.93 79.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -62.19 -45.88 91.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 54' ' ' TRP . 12.4 mt -61.36 -56.47 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -35.86 -52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.588 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -68.29 -44.99 74.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.52 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 38.7 mt -53.96 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -51.32 -44.41 61.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -52.81 -37.22 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -80.47 -48.09 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE1' ' OE1' ' A' ' 30' ' ' GLN . 9.9 t80 -44.57 -54.03 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' LYS . 8.9 pt20 -51.15 -34.18 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tmtm? -73.63 -48.39 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t -162.59 153.23 16.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 30.5 mm-40 -98.4 -27.05 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -104.63 93.24 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 40' ' ' LEU . 45.6 mt -79.39 146.89 32.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -72.03 176.87 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.8 tp -54.97 -59.97 9.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.8 -20.69 34.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 14.6 mm-40 -73.36 -54.54 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 6.2 ttp-105 -54.07 -45.99 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.14 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -54.02 -43.59 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 32' ' ' LEU . 9.5 mt -70.96 -30.49 66.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -75.96 -34.98 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.42 -34.36 20.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -77.8 -50.07 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 21' ' ' ALA . 21.5 mt -81.01 -8.39 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 22.23 69.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.8 mt -103.39 -179.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.786 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.7 t -112.47 157.66 20.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -53.63 -32.53 51.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.4 m -73.06 -18.47 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.786 ' HG3' HG22 ' A' ' 47' ' ' THR . 19.0 mt-30 -91.3 -53.93 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 40' ' ' LEU . 15.7 t -61.86 -24.74 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -70.65 -55.22 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.38 -38.75 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 22' ' ' LEU . 74.1 t90 -57.38 -46.55 83.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.02 -38.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -62.63 -60.55 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.7 -55.29 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HE2' ' CZ2' ' A' ' 54' ' ' TRP . 0.3 OUTLIER -43.36 -53.53 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 8.4 mtp-105 -41.96 -55.75 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -44.11 -34.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 62' ' ' ILE . 28.6 tttp -60.93 -40.83 94.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' LYS . 87.9 mt -34.74 107.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -112.0 156.16 22.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -81.31 144.95 31.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -97.45 140.5 31.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.0 -119.51 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -97.94 147.08 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 m -97.06 170.93 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -57.75 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -114.1 136.02 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.39 172.63 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 31.9 p -65.77 -52.54 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.857 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.5 m 35.86 40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.57 114.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -107.71 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -55.66 126.27 63.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.542 0.687 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 1.14 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.383 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -117.58 118.24 31.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 13' ' ' ILE . 91.4 m -96.03 159.27 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' N ' HG22 ' A' ' 12' ' ' THR . 76.3 mt -46.98 -20.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 13' ' ' ILE . 47.2 m-85 -140.05 137.66 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -62.26 150.16 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 p -55.0 -40.07 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -66.17 -39.14 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.32 -32.3 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -72.87 -59.26 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.9 -50.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -69.58 -50.6 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 41.5 mt -50.67 -57.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.61 -48.72 78.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -49.14 -41.79 37.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -78.8 -40.28 33.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 19.2 t80 -57.56 -52.29 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -54.0 -26.11 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -80.31 -53.24 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -142.47 134.8 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 12.7 mp0 -77.78 -27.97 50.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -108.87 136.62 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 97.0 mt -118.81 135.37 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.08 -177.3 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -57.46 -60.25 10.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.78 -28.33 25.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -48.53 61.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 37' ' ' ARG . 7.3 ttp-105 -65.12 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.51 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.89 -37.07 86.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.724 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -76.51 -21.28 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.44 -30.02 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -88.9 -52.83 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' A' ' 21' ' ' ALA . 28.6 mt -69.71 -21.83 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 13.86 58.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.724 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 4.6 mt -100.23 178.95 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -109.65 158.51 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -54.74 -24.5 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -75.93 -21.26 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -92.24 -43.77 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.56 -20.92 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -75.48 -48.3 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.34 -40.23 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 25.0 t90 -56.74 -43.8 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -72.9 -52.95 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -53.81 -54.71 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -56.51 -38.43 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 21.5 mmtt -61.09 -54.21 47.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.497 HH21 HG21 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -48.75 -57.98 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.8 m -41.09 -43.4 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -65.36 -46.37 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 26' ' ' PHE . 8.0 mt -55.21 101.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' ILE . 45.7 mtmt -34.37 129.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -86.87 163.53 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 m -70.46 117.49 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.4 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -42.46 3.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 t -57.51 98.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -75.71 -51.68 12.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -111.29 163.85 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -113.2 -51.72 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.83 -170.99 43.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -160.83 162.19 32.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -141.8 156.07 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.2 -57.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -120.8 32.23 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -107.59 82.33 1.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -90.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -76.22 -71.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 13' ' ' ILE . 79.7 m -165.01 159.28 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 12' ' ' THR . 39.1 mm -47.94 -19.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -137.22 152.49 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -73.05 134.95 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -40.92 -50.46 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -52.04 -52.62 49.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 46' ' ' LEU . 97.3 mt-30 -61.55 -51.69 67.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -50.8 -50.71 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.66 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -53.07 -47.37 68.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 23.7 mt -47.96 -63.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -49.14 -49.73 40.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.45 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -73.59 -37.42 65.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -57.45 -58.22 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -35.79 77.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -67.47 -26.79 66.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' NH2' ' A' ' 25' ' ' ARG . 14.5 t -164.94 135.68 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.66 -25.41 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -124.11 137.99 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 93.5 mt -116.06 136.13 53.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . . . -70.42 -178.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -54.95 -60.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -30.94 21.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 73.9 mm-40 -60.73 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.91 -44.5 96.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.3 -36.8 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -43.06 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -38.02 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -71.86 -27.19 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.31 -35.47 16.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -81.93 -55.34 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 21' ' ' ALA . 33.4 mt -70.11 -15.02 62.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.98 16.47 69.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.622 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -99.22 -179.6 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.393 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 50' ' ' GLN . 15.3 t -112.29 154.96 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -51.56 -38.53 54.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 m -65.95 -20.69 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.679 ' HG3' HG22 ' A' ' 47' ' ' THR . 12.7 mt-30 -91.73 -51.45 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.15 -22.54 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -72.55 -52.47 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.8 -39.43 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CZ2' ' HE3' ' A' ' 58' ' ' LYS . 76.2 t90 -57.03 -45.53 83.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.0 m-85 -71.08 -38.23 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -59.17 -55.74 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.51 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' HE3' ' CZ2' ' A' ' 54' ' ' TRP . 5.9 tppt? -46.39 -50.16 16.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 9.4 mtp-105 -59.93 -24.96 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -88.59 -19.44 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -114.5 37.73 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 59' ' ' ARG . 63.1 mt -73.54 108.81 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -35.12 102.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -71.51 159.91 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -110.6 135.48 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -108.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.81 1.27 4.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.624 2.216 . . . . 0.0 112.391 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' PRO . 28.3 m -35.69 119.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -97.65 152.53 18.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.518 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -100.54 42.01 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -50.87 106.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -101.25 -157.38 27.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 62.9 p 37.32 41.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -116.28 -58.22 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.45 -90.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 60.05 39.18 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -94.14 143.59 26.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.88 29.29 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -95.62 43.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 13' ' ' ILE . 55.5 m -46.73 154.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 14' ' ' TYR . 45.7 mm -46.44 -20.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' CD1' HG22 ' A' ' 13' ' ' ILE . 45.3 m-85 -140.0 141.4 36.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -64.94 145.29 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 p -49.45 -50.24 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -56.18 -48.84 75.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -61.15 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD21 ' HE1' ' A' ' 54' ' ' TRP . 10.7 mt -62.71 -55.7 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.9 -52.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.46 -50.42 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 40' ' ' LEU . 24.2 mt -45.78 -59.39 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -58.28 -46.48 85.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -52.59 -35.14 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.652 ' HE ' HD21 ' A' ' 40' ' ' LEU . 17.0 tpp180 -73.99 -48.06 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -52.35 -43.84 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -49.39 -43.89 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -62.96 -48.0 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' TYR . 12.0 t -151.06 144.75 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.92 -30.67 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 29' ' ' THR . 3.3 m-85 -110.52 157.32 19.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 mt -129.52 131.94 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -64.07 178.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.3 tp -57.83 -60.14 10.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 -12.28 32.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 5.2 mm-40 -82.19 -46.76 13.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 9.9 ttp-105 -62.6 -49.94 73.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.14 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.76 -49.24 71.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 ' HE ' ' A' ' 25' ' ' ARG . 12.3 mt -65.2 -36.71 85.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -73.07 -30.08 63.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.12 -24.79 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -88.77 -57.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 29.2 mt -70.78 -19.27 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.63 19.96 39.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.698 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 5.9 mt -101.81 176.82 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.6 t -106.11 155.87 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.46 -26.35 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -76.75 -19.92 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.552 ' HG3' HG22 ' A' ' 47' ' ' THR . 8.1 mt-30 -87.82 -53.19 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 40' ' ' LEU . 10.1 t -60.78 -27.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG3' ' CD ' ' A' ' 37' ' ' ARG . 32.5 mtpt -70.19 -61.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.42 -29.73 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 58' ' ' LYS . 36.2 t90 -69.02 -53.08 22.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.6 m-85 -65.83 -36.7 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.18 -55.99 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -52.64 -47.63 66.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 3.6 tppt? -54.28 -54.82 35.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -53.87 -18.74 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -87.54 -32.08 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -20.43 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 mt -51.54 105.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 111.78 4.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -63.26 142.89 58.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 59.8 p -73.42 126.03 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.28 -89.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 113.5 3.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -53.94 168.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.8 p -87.5 170.01 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -108.59 42.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -100.45 153.2 19.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.03 -57.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -73.34 162.11 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -154.36 154.02 32.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.02 136.56 13.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.61 133.67 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -135.16 135.31 22.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -100.99 102.89 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 13' ' ' ILE . 61.7 m -115.1 154.93 28.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.432 ' N ' HG22 ' A' ' 12' ' ' THR . 4.6 mm -44.4 -21.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' THR . 43.2 m-85 -140.07 151.87 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 t -76.85 156.95 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -57.47 -35.65 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.92 -50.29 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HA ' HD22 ' A' ' 44' ' ' LEU . 97.6 mt-30 -66.13 -38.37 88.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 ' HE1' ' A' ' 54' ' ' TRP . 13.2 mt -68.62 -57.37 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -36.11 -38.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -84.89 -41.62 15.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 54' ' ' TRP . 37.7 mt -60.5 -55.93 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -60.25 -30.7 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -69.22 -37.63 78.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' NH2' ' HG3' ' A' ' 36' ' ' GLU . 11.8 tpt180 -79.7 -38.62 33.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 10.9 t80 -45.54 -57.15 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -54.92 -40.23 69.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -60.49 -46.81 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -163.08 126.57 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.87 -29.24 65.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -109.77 130.18 55.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 81.2 mt -111.27 139.38 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -70.51 -178.74 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.2 tp -56.3 -60.27 9.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.738 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.78 -27.31 26.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -66.22 -37.39 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 3.7 ttp-105 -69.83 -56.49 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -28.43 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -57.31 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.18 -39.95 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -68.24 -22.38 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.17 -45.29 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -74.55 -57.2 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.1 mt -65.34 -14.79 61.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.15 70.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.756 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.2 mt -102.03 176.6 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.845 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.8 t -103.91 160.41 14.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -58.82 -16.81 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 47' ' ' THR . 5.3 m -89.96 -11.91 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.845 ' HG3' HG22 ' A' ' 47' ' ' THR . 16.1 mt-30 -94.96 -43.84 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.19 -20.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -75.32 -48.29 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 -35.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CH2' ' HE2' ' A' ' 58' ' ' LYS . 25.1 t90 -62.38 -48.23 80.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.0 m-85 -68.99 -38.27 79.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.44 -62.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.08 -24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 7.6 mmmt -75.29 -48.0 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -42.09 -45.01 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -61.22 -40.91 95.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.36 -39.57 83.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.5 mt -38.27 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 61' ' ' LYS . 10.7 mptt -54.54 96.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 143.84 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 m -88.81 107.83 19.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.4 -75.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.86 69.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 m -85.14 -45.68 11.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -86.38 -54.34 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.522 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 p -170.76 133.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -148.43 146.88 28.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.91 172.34 24.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -136.08 126.72 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -142.97 115.99 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.72 53.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -87.46 -54.43 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -56.2 151.77 25.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.6 14.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -81.22 143.1 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 13' ' ' ILE . 46.5 m -105.85 156.06 18.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 12' ' ' THR . 56.9 mt -48.43 -18.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.413 ' CD1' HG22 ' A' ' 13' ' ' ILE . 42.9 m-85 -140.1 139.54 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -67.0 152.63 45.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -53.71 -40.16 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.03 -48.84 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.89 -36.9 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -69.1 -61.17 1.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -33.98 -43.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.575 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -77.58 -48.88 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 44' ' ' LEU . 28.3 mt -49.81 -58.95 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -56.29 -42.05 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -50.02 -49.55 50.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -74.47 -40.25 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 58' ' ' LYS . 20.5 t80 -53.99 -57.75 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -46.79 -47.89 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -153.72 137.37 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 26' ' ' PHE . 7.1 mm100 -82.05 -16.68 49.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.47 133.93 55.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 86.2 mt -119.22 142.22 48.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.28 -175.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.4 tp -60.53 -60.37 10.85 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.69 -27.67 26.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.04 -47.42 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' HA ' ' A' ' 34' ' ' LEU . 7.4 ttp-105 -62.38 -46.67 87.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.33 70.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -55.15 -47.19 75.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.43 -35.84 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.97 -37.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.93 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.7 m -82.63 -57.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD21 ' CB ' ' A' ' 21' ' ' ALA . 23.4 mt -74.02 -9.41 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.8 26.88 55.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.632 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 mt -109.25 176.97 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.894 HG22 ' HG3' ' A' ' 50' ' ' GLN . 5.7 t -106.04 158.01 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -54.96 -33.0 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -72.84 -13.6 61.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.894 ' HG3' HG22 ' A' ' 47' ' ' THR . 20.1 mt-30 -94.8 -50.45 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.77 -21.85 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -73.74 -54.28 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.64 -37.91 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 58' ' ' LYS . 44.2 t90 -59.7 -47.87 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 8.9 m-85 -69.22 -22.24 63.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -79.73 -56.47 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.4 -27.98 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 26' ' ' PHE . 9.9 mmtt -71.5 -43.37 66.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.51 -45.03 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -50.8 -45.62 59.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -62.53 -44.06 97.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' LYS . 50.9 mm -34.44 109.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -44.51 131.48 6.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -74.67 147.24 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 132.06 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.42 -167.16 22.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.294 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t 61.59 27.61 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -120.41 171.19 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -89.61 42.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -126.53 173.83 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.87 165.21 28.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -123.4 167.07 14.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 m -100.7 -71.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.23 -45.8 2.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -46.76 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -64.02 -52.22 57.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.79 168.27 22.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' PRO . 13.3 ptp180 34.73 43.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 13' ' ' ILE . 27.2 m -36.58 154.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.787 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.6 mp -52.23 -16.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -137.89 136.76 37.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 m -62.69 155.08 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 p -56.06 -47.44 77.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.46 -36.54 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' HD21 ' A' ' 46' ' ' LEU . 84.8 mt-30 -76.28 -38.66 55.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.0 mt -68.88 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . . . -34.08 -56.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 44' ' ' LEU . . . -66.71 -47.19 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -48.86 -63.06 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.94 -45.51 74.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -48.97 -36.56 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' NH1' HD21 ' A' ' 40' ' ' LEU . 3.2 tpt180 -76.78 -42.16 41.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -55.1 -38.69 68.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.7 -45.24 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -60.17 -53.86 52.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -147.56 148.06 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -80.47 -31.94 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.07 145.64 35.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 26.8 mt -121.98 138.83 54.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HB2' ' A' ' 36' ' ' GLU . . . -71.08 177.28 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 1.6 tp -55.75 -60.31 9.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.622 0.725 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 34' ' ' LEU . 52.7 Cg_endo -69.84 -21.13 33.54 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -71.11 -48.9 49.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -61.85 -45.29 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.71 -46.62 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.14 -52.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD21 ' NH1' ' A' ' 25' ' ' ARG . 10.4 mt -55.68 -42.15 74.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -69.81 -23.96 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.78 21.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 m -84.96 -53.17 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.643 HD21 ' HB3' ' A' ' 21' ' ' ALA . 24.0 mt -69.87 -6.16 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.44 16.0 75.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.755 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 6.1 mt -100.31 179.44 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' HG3' ' A' ' 50' ' ' GLN . 14.9 t -111.94 156.5 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -50.34 -41.71 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 m -61.07 -22.07 64.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' A' ' 47' ' ' THR . 13.6 mt-30 -91.47 -49.22 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.61 -22.25 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -71.61 -43.57 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -72.0 -39.4 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.2 t90 -56.88 -36.27 69.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 10.0 m-85 -80.98 -45.58 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -55.36 -58.63 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -52.75 -57.16 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' CH2' ' A' ' 54' ' ' TRP . 5.1 tptp -40.37 -51.72 2.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -53.48 -54.4 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -45.99 -29.82 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' ILE . 1.5 tmmm? -67.85 -50.9 53.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' LYS . 15.1 mt -34.13 103.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -36.68 141.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 8.9 mtpm? -85.8 132.19 34.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -77.01 156.0 32.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.89 -97.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -29.04 24.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.4 m -38.52 122.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -82.49 -50.6 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 stop_ save_