data_1x1m_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 1x1m _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 ' 13' ' ' TRP . . . . . 0.565 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.1 t-105 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -129.06 158.98 37.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.58 152.3 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.4 141.87 31.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.7 t -125.49 124.88 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.64 136.4 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.3 108.64 15.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.75 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -67.57 -25.46 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -134.09 88.1 32.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.82 22.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -93.75 -28.71 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 148.56 60.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.87 41.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -68.58 139.55 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -106.14 156.9 17.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.41 ' CG2' ' OE1' ' A' ' 31' ' ' GLN . 47.4 mm -106.24 120.39 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 tp -105.55 116.79 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 1.1 mp0 -102.85 102.37 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.1 pp -71.19 152.85 94.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 43.86 56.76 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -30.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -53.38 155.79 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.1 m -114.49 129.8 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.4 mm -36.64 -53.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ILE . 6.2 t -34.58 -51.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CD2' HD12 ' A' ' 53' ' ' LEU . 20.3 t80 -50.6 -58.19 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.83 -52.11 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -45.95 -22.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.56 -54.46 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 49' ' ' PHE . 5.4 mp -50.07 -55.33 15.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.94 -50.21 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 -23.31 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.17 -25.59 51.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -90.49 -35.49 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.02 21.82 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -50.25 -17.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.62 -36.02 82.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -116.04 -44.53 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.46 121.59 85.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.28 155.63 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.56 34.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.84 -29.68 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.38 19.27 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 69' ' ' ASP . 2.8 pp -139.59 -175.39 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' N ' HD11 ' A' ' 68' ' ' ILE . 20.2 m-20 -154.73 170.4 21.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.26 134.71 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 12.6 mm -119.67 128.24 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CB ' HD12 ' A' ' 77' ' ' LEU . 70.9 t80 -137.26 140.6 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 32.2 t 58.24 27.18 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.43 16.41 80.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -142.46 138.94 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -62.37 157.42 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD22 ' CE2' ' A' ' 86' ' ' TYR . 15.9 mt -119.07 120.4 37.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.62 164.98 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.24 6.72 28.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -110.26 10.65 23.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.49 173.54 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -129.73 163.33 26.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -59.87 -35.23 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.78 -32.77 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.1 -45.99 86.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CE2' HD22 ' A' ' 77' ' ' LEU . 27.5 m-85 -84.01 -30.95 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.99 16.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.53 144.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -130.09 158.75 73.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.54 -22.07 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -67.93 -179.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -134.58 126.31 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.7 m -102.23 166.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.06 135.98 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.93 135.9 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -128.9 129.04 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' N ' HD11 ' A' ' 97' ' ' LEU . 45.7 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 3.2 t-105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -130.75 159.15 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -143.01 155.97 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.93 150.08 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -139.63 141.92 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -136.62 125.16 23.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 22' ' ' GLN . 13.7 tp -68.38 109.28 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.85 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.8 -24.55 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 19' ' ' LEU . 30.7 mt-30 -132.85 84.85 48.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.81 14.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.13 -27.01 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.0 154.14 2.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.49 16.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.68 140.57 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -79.26 128.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -109.28 150.56 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -130.62 102.7 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 2.8 pp -71.9 152.19 93.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.647 2.232 . . . . 0.0 112.388 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 32.1 mt . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.27 60.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.55 -31.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -55.88 136.13 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.7 m -96.48 131.93 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.8 mm -34.49 -53.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -39.46 -51.55 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 53' ' ' LEU . 11.1 t80 -43.91 -64.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.39 -51.74 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -47.42 -20.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -90.58 -51.75 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.5 mp -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.38 -54.63 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.31 -18.26 67.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -99.82 -31.97 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.14 27.52 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.24 -17.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.88 -34.2 77.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -42.22 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 68' ' ' ILE . 3.2 t -89.45 120.32 69.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.97 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.69 150.98 31.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.815 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -22.44 32.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.07 -35.04 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.46 11.05 6.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' A' ' 62' ' ' VAL . 2.8 pp -140.34 161.22 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.02 175.61 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.78 138.44 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 mm -123.92 126.67 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 73' ' ' CYS . 59.5 t80 -141.16 146.45 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.0 t 52.14 29.34 6.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 27.09 71.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -149.82 140.72 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.04 139.79 54.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 86' ' ' TYR . 23.5 mt -101.29 128.77 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -90.57 161.47 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -73.84 -2.12 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.71 3.31 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -111.12 157.36 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' LEU . 33.3 p -124.35 151.34 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.3 mm? -35.85 -44.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.11 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.2 t80 -41.65 -49.95 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 77' ' ' LEU . 33.0 m-85 -85.45 -26.43 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.12 30.96 18.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.12 129.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -101.62 155.25 36.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 96.46 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.24 -26.67 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -49.82 178.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -129.19 123.52 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -113.57 150.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -110.07 139.94 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.2 130.18 52.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.57 118.36 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 4.8 t-105 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -131.0 167.05 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -151.76 160.84 43.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.32 154.57 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.49 131.45 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 5.3 mmmm -130.9 147.7 52.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -97.4 124.1 41.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -30.75 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -127.26 90.03 50.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.7 -31.54 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.69 149.83 1.39 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.74 40.9 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -66.66 150.97 48.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -129.34 140.66 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 30' ' ' LEU . 29.8 mm -100.88 133.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 12.2 tp -111.86 124.68 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.84 104.13 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.05 152.02 88.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.78 76.69 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.56 -40.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -48.65 139.01 10.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -91.34 127.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -42.19 -42.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -42.94 -52.9 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 53' ' ' LEU . 14.2 t80 -46.6 -63.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -46.97 -54.28 10.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.25 -45.74 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.1 mp -57.59 -49.6 75.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.37 -54.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.78 -24.32 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -18.28 68.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 28.8 mmtt -98.12 -32.19 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' GLU . 16.1 mt -96.47 22.8 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -45.95 -21.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' SER . 9.6 pt-20 -55.95 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.0 m -112.91 -39.88 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.57 112.2 32.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 143.6 41.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -11.81 31.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.98 -30.32 14.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.93 20.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.38 163.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -129.16 155.65 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -107.43 134.97 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mm -119.03 134.48 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -139.16 135.56 34.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 m 56.51 27.11 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.18 20.01 76.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -145.08 126.84 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.44 153.34 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.4 mt -118.3 128.21 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -79.93 156.95 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.2 p30 -77.12 -0.43 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -96.75 -9.16 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.51 ' HG3' ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -94.37 176.52 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -136.16 161.86 34.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.1 mm? -47.11 -42.98 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -67.65 -51.35 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.51 ' CG ' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -34.87 -49.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.58 -26.03 17.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.64 26.74 31.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.9 mt -50.4 139.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 18.7 mp0 -103.0 150.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.26 23.21 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 p -98.16 -179.75 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -134.68 127.38 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.11 174.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 93.5 m-70 -142.06 131.52 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 t -93.43 140.8 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -126.73 124.65 40.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.526 ' CE3' ' HG ' ' A' ' 42' ' ' LEU . 3.9 t-105 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -131.45 159.43 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 tp -149.71 155.92 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.84 155.28 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.86 134.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -140.21 125.18 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.09 126.68 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -29.44 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.29 -31.39 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.41 88.11 51.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.43 16.18 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.83 -29.03 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.62 154.12 4.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.079 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 166.28 28.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -88.48 155.45 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -127.57 115.26 18.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.83 114.43 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 54' ' ' ILE . 9.6 tp -103.57 145.44 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -130.58 98.54 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.4 pp -64.2 150.37 92.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 16.7 mt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.876 0.369 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.13 69.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.42 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.8 150.33 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.5 m -104.26 139.23 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -46.29 -47.7 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -39.69 -47.53 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -50.19 -64.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.0 mt -45.91 -56.84 4.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -40.6 -24.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . 14.3 mt-30 -85.98 -46.51 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 32' ' ' LEU . 5.2 mp -59.22 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.401 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.3 mp -55.42 -52.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.94 -32.47 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.55 -31.28 30.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -74.38 -30.36 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.3 24.86 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -48.37 -19.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.11 -38.32 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.93 -44.37 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -75.52 114.94 41.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HG3' ' NH1' ' A' ' 98' ' ' ARG . 53.3 Cg_endo -69.77 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.61 154.07 47.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.7 36.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.19 -24.51 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 mt -92.38 21.29 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -142.37 -179.72 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.19 154.03 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.89 129.82 48.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.1 mm -115.79 125.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -133.29 135.21 44.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 5.5 t 56.55 27.35 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.64 19.72 75.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -142.94 132.37 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -62.11 153.9 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -114.34 129.78 56.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -81.89 158.71 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -1.17 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.92 4.2 42.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -108.1 177.53 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -136.68 165.26 26.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -53.82 -54.17 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -37.24 80.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 5.1 t80 -51.37 -49.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.83 -28.11 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.85 15.11 29.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.3 151.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -137.72 158.48 71.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 81.04 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.98 -26.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 m -66.27 -176.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 m -134.51 132.72 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -113.28 154.05 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.84 134.89 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.25 129.24 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 126.96 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.419 ' NH1' ' HG3' ' A' ' 63' ' ' PRO . 9.7 mmm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.4 t-105 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -131.86 143.36 50.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.52 156.45 46.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.7 155.27 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.26 139.05 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 18.7 mmmt -136.55 140.45 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -88.47 110.73 21.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -59.85 -31.34 69.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.12 -36.51 84.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 39.0 mt-30 -128.07 94.48 36.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.739 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.5 Cg_endo -69.78 -4.23 13.61 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.02 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.65 156.15 1.25 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 111.064 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 151.59 69.41 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.08 147.3 34.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 m -126.31 117.01 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -82.86 124.64 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 13.7 tp -105.09 121.65 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.87 98.93 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' A' ' 13' ' ' TRP . 3.9 pp -66.8 150.33 97.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 39.3 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.76 77.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.63 -28.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.5 m-85 -54.24 157.54 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 p -110.07 127.33 54.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -38.04 -41.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -45.45 -55.35 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -45.05 -63.48 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.0 mt -45.88 -56.21 5.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -40.02 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 50' ' ' LEU . 23.5 mt-30 -86.81 -43.65 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 4.7 mp -58.98 -45.15 91.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CG2' HD11 ' A' ' 58' ' ' LEU . 4.6 mp -68.32 -64.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.48 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.52 -25.27 65.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -94.25 -24.16 17.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD11 ' CG2' ' A' ' 54' ' ' ILE . 23.5 mt -102.29 29.71 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -52.17 -16.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.83 -32.65 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.4 -48.04 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -83.95 116.99 67.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.03 150.63 39.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.82 33.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.69 -30.32 15.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.51 15.96 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.97 176.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -139.04 154.43 48.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -107.26 124.96 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.7 mm -112.35 129.52 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 71.4 t80 -140.46 142.79 35.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 5.9 m 51.98 28.79 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.52 70.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -151.82 132.66 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.95 153.63 20.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 72' ' ' TYR . 9.7 mt -116.01 116.45 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -71.81 157.71 37.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.13 -3.42 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -96.29 -0.46 49.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.528 ' CD ' ' CE1' ' A' ' 85' ' ' PHE . 33.6 mm-40 -109.02 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 p -128.45 178.06 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -61.8 -53.29 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.98 -42.52 99.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' ' CD ' ' A' ' 81' ' ' GLN . 38.0 t80 -47.97 -36.54 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -94.52 -31.98 13.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 98.88 46.03 2.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.537 HG12 ' CE2' ' A' ' 72' ' ' TYR . 28.8 mt -97.42 145.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 111.179 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.66 160.52 60.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.12 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.56 -22.35 2.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -67.18 177.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 m -130.44 129.65 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 m -106.26 156.71 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 87.8 m-70 -121.98 126.82 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 53.2 t -86.65 152.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -135.6 117.94 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.424 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.7 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 7.6 t-105 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.796 0.332 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -131.19 164.43 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.56 161.0 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.57 152.07 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.2 t -134.73 133.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.7 129.7 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 tp -77.11 109.8 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.02 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.99 -32.38 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.02 92.94 40.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.38 18.46 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.05 -27.41 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.3 148.4 23.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.687 . . . . 0.0 111.162 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.14 66.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -74.62 147.04 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -121.15 152.63 38.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 mm -112.21 124.34 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.35 152.05 22.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -132.22 97.83 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 3.9 pp -68.82 151.42 97.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 1.6 mt . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.828 0.346 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.88 86.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.24 -23.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -62.18 131.95 51.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ILE . 17.8 m -88.07 130.5 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 20.4 mm -37.56 -42.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.2 -54.89 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 53' ' ' LEU . 5.8 t80 -40.79 -64.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.0 mt -47.01 -57.86 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -43.79 -22.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 20.3 mt-30 -90.33 -43.36 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -63.43 -58.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -55.26 -50.0 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.19 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.15 -23.56 56.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -87.65 -33.54 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mt -98.55 26.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -49.35 -18.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.98 -35.93 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -113.44 -41.24 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.434 HG11 ' CG2' ' A' ' 68' ' ' ILE . 66.7 t -76.84 115.45 48.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' CD ' ' HD3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.01 144.95 31.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.44 30.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.0 -33.41 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.79 22.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' HG11 ' A' ' 62' ' ' VAL . 2.6 pp -135.88 153.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.89 157.15 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.69 129.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.31 131.77 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.41 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 84.8 t80 -142.73 140.89 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 53.48 27.64 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.02 20.38 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.61 128.88 21.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 3.4 tmmm? -65.56 146.64 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 5.0 mt -110.5 124.47 51.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -73.19 165.67 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.92 0.28 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -95.58 -13.29 24.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -95.01 176.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.7 p -134.03 170.65 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.62 -42.17 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.03 -45.09 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -47.71 -39.11 16.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.464 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 23.1 m-85 -94.57 -25.09 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.13 39.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 17.5 mt -60.45 154.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 47.2 mm-40 -120.83 149.52 50.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.74 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.75 5.15 16.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.1 m -93.18 177.41 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -130.63 129.97 43.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.34 161.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -118.62 145.53 45.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 125.9 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.3 124.69 51.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HD3' ' CD ' ' A' ' 63' ' ' PRO . 16.0 mtm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.7 t-105 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.805 0.336 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -127.78 158.37 37.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.804 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.27 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB1' ' NZ ' ' A' ' 27' ' ' LYS . . . -95.46 148.91 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.34 136.81 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -140.47 137.1 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -87.03 114.27 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.25 -22.58 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -79.04 -32.46 44.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -127.38 88.77 53.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.46 -30.31 13.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.39 150.85 11.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.048 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.09 59.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' NZ ' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -70.79 156.42 39.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -129.2 140.28 51.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -95.88 124.06 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 tp -109.37 135.11 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -121.74 104.71 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -73.14 150.08 89.76 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 179.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 HD11 ' CD2' ' A' ' 13' ' ' TRP . 1.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.99 60.91 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -35.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 25.2 m-85 -54.32 132.79 44.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 3.2 m -85.36 134.52 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' CG2' ' HE3' ' A' ' 51' ' ' LYS . 17.1 mm -37.78 -50.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -43.69 -48.22 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' HD12 ' A' ' 53' ' ' LEU . 12.1 t80 -42.27 -61.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.2 mt -46.92 -57.28 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HE3' ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -40.06 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.3 mt-30 -84.94 -48.14 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.3 mp -59.38 -47.78 84.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.55 -41.8 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.55 -19.96 64.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.18 -24.43 40.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -93.05 -29.46 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -98.57 25.43 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.5 -15.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.7 -33.88 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -118.35 -48.52 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.56 116.37 36.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 151.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -20.86 34.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -88.92 -29.26 19.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -85.68 12.84 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.97 167.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -135.58 167.97 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 tp -114.18 136.64 52.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -119.86 128.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -137.93 135.87 36.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.9 t 60.72 28.15 17.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.27 23.97 72.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -152.85 137.11 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.82 159.57 27.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -119.41 126.48 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -64.13 161.23 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -2.81 55.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.8 4.12 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -107.12 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -126.33 167.71 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.78 -47.67 64.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -67.25 -44.28 79.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.04 -43.55 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.88 -26.33 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.31 28.22 20.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.3 mt -59.47 128.97 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -93.65 151.09 39.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.81 8.77 12.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.5 m -96.15 173.08 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.8 m -124.48 140.07 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -115.33 139.3 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -106.38 135.39 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.55 138.12 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 98' ' ' ARG . 1.5 tm? -127.86 120.9 28.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.426 ' N ' HD11 ' A' ' 97' ' ' LEU . 39.5 mtm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.459 ' CE3' HD11 ' A' ' 42' ' ' LEU . 2.5 t-105 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . 12.2 p-80 -131.84 154.59 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.86 152.99 49.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.1 127.28 36.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.2 t -112.3 132.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -129.39 129.83 45.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.34 104.69 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.4 -35.76 60.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.75 -39.77 85.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 53.3 mt-30 -128.06 98.96 25.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.7 Cg_endo -69.75 -7.43 21.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.87 -30.86 12.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.31 149.63 0.94 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 143.07 49.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -67.53 141.6 56.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -122.12 112.57 18.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CG2' ' HB2' ' A' ' 14' ' ' HIS . 38.7 mm -74.48 130.83 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 31' ' ' GLN . 10.1 tp -108.92 150.78 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 40.6 mt-30 -127.42 110.53 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.2 pp -86.58 149.74 49.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD11 ' CE3' ' A' ' 13' ' ' TRP . 53.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.74 71.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.04 -26.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 10.5 m-85 -61.23 130.11 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.995 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' ILE . 2.6 m -81.21 126.58 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.5 mm -33.57 -50.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -51.52 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 53' ' ' LEU . 46.9 t80 -43.68 -52.64 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 54' ' ' ILE . 16.7 mt -60.47 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -48.6 -18.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -89.16 -46.83 8.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -60.85 -50.72 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 4.4 mp -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -55.8 -35.51 66.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.11 -25.82 67.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.71 -30.28 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.49 26.88 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -49.98 -18.92 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.05 -39.86 91.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -114.25 -41.86 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -75.06 118.53 71.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.01 151.64 45.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HA ' ' CB ' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.75 -13.05 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -93.07 -28.25 16.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.42 21.66 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -141.95 172.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -143.71 172.83 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -118.54 136.18 53.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -120.52 131.84 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 60.5 t80 -142.72 150.02 39.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.7 t 45.29 38.64 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.4 35.98 91.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.7 ptm85 -158.98 141.51 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -68.58 147.1 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 39.2 mt -106.51 116.53 32.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -78.06 161.41 27.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -78.94 -6.35 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.35 24.5 3.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 mp0 -138.27 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -123.78 167.76 13.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.59 -40.81 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.79 -53.98 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' GLN . 90.0 t80 -41.08 -40.31 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.464 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 9.9 m-85 -85.17 -31.09 23.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 94.41 45.86 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.13 144.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -130.7 160.57 65.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.447 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 80.93 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.74 -20.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -66.97 177.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.439 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -126.17 123.83 39.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.43 157.78 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -118.32 125.6 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.25 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.46 117.65 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CD1' HD21 ' A' ' 32' ' ' LEU . 6.8 t-105 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -127.32 153.45 46.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.39 152.83 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.14 149.77 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -130.75 132.77 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -134.29 145.96 49.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 22' ' ' GLN . 2.1 tp -95.01 126.09 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -76.31 -16.67 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -89.91 -26.17 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.465 ' N ' HD21 ' A' ' 19' ' ' LEU . 68.0 mt-30 -131.93 85.68 50.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.87 19.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.66 -26.16 15.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.51 149.26 51.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.65 36.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.13 154.97 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -129.65 134.22 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.7 131.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 tp -111.68 136.05 51.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.4 98.22 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 13' ' ' TRP . 2.9 pp -73.25 152.22 90.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.819 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' GLY . 29.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.89 71.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.91 -36.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -56.13 147.73 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -102.93 136.28 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.39 -48.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 t -39.73 -52.15 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 53' ' ' LEU . 24.8 t80 -49.39 -60.23 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -46.14 -58.59 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -42.32 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' LEU . 17.4 mt-30 -84.58 -49.92 8.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 49' ' ' PHE . 5.4 mp -55.85 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -55.94 -48.4 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -29.5 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.43 76.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -95.95 -40.82 9.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' GLU . 13.8 mt -70.49 -0.49 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -31.66 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt-20 -43.41 -51.59 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -112.38 -33.53 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.88 116.01 56.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.88 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -150.6 156.38 36.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.55 34.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -86.27 -28.17 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.74 8.54 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.91 153.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 2.1 p30 -117.61 173.29 6.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 tp -113.71 132.07 55.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.45 127.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 12.5 t80 -142.44 144.86 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 42.2 t 51.64 34.73 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.79 33.05 86.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -160.22 129.96 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -55.11 151.6 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.501 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 19.4 mt -112.42 111.15 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -63.06 163.14 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.73 2.59 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -101.3 -4.38 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -97.4 -177.97 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -138.13 164.52 28.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -51.48 -39.9 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -50.37 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -43.16 -34.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.501 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 18.4 m-85 -97.97 -28.49 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.71 48.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.5 mt -52.4 147.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -134.29 161.39 64.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.551 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.7 3.04 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.31 -3.47 19.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m -89.6 174.55 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.8 m -130.47 130.54 44.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 m -106.38 137.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -97.29 145.76 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 52.8 t -105.11 148.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 69' ' ' ASP . 1.2 tm? -123.46 135.88 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.562 ' CD1' HD22 ' A' ' 32' ' ' LEU . 3.0 t-105 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -130.64 153.01 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.65 156.01 44.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.65 146.73 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.99 134.13 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -135.38 129.51 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -79.57 113.29 17.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.51 84.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.26 -35.24 79.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -125.18 91.01 49.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.3 32.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -92.62 -27.41 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.92 153.01 4.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.36 68.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.03 155.14 38.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -131.97 125.45 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.43 119.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 tp -102.99 130.33 50.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -110.56 99.77 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 13' ' ' TRP . 4.0 pp -69.85 153.23 95.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 13' ' ' TRP . 19.9 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.88 81.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.73 -31.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -52.72 135.87 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.3 p -88.73 126.55 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.9 mm -35.69 -37.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -49.63 -53.12 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CE2' HD13 ' A' ' 53' ' ' LEU . 11.5 t80 -43.82 -62.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -47.03 -57.61 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -43.21 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.4 mt-30 -89.09 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.1 mp -52.85 -54.5 33.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -58.37 -53.3 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.17 -35.94 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -27.08 70.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -88.28 -30.76 19.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -101.36 28.81 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.55 -16.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.7 pt-20 -66.03 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.7 m -115.67 -43.02 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -76.83 119.78 78.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.193 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -150.2 149.36 26.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.66 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.88 -26.08 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.96 20.12 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -141.55 169.85 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -138.64 -179.31 5.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -125.25 137.71 54.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -120.29 132.24 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -142.83 143.77 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 p 49.71 25.77 1.61 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.88 59.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -147.85 132.59 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 128.45 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 7.5 mt -94.25 114.58 26.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 81' ' ' GLN . 14.8 pttt -64.45 176.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.31 9.37 38.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -105.1 -1.11 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 85' ' ' PHE . 14.9 mm-40 -102.42 172.18 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' LEU . 8.8 p -129.64 150.13 51.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.9 mm? -37.46 -40.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.91 -49.79 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 81' ' ' GLN . 5.1 t80 -41.35 -41.63 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 15.6 m-85 -89.55 -24.39 21.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.03 23.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.9 130.23 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -106.3 154.69 39.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.75 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.57 -13.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.5 p -71.26 -175.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -127.06 132.46 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.7 128.04 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.93 133.1 35.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -97.38 130.64 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.13 119.44 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.0 t-105 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -129.31 164.81 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -150.56 157.09 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.97 153.0 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.09 137.73 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -139.19 149.28 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 22' ' ' GLN . 13.5 tp -97.28 114.8 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.84 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.45 -25.22 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.447 ' HG3' ' CD2' ' A' ' 19' ' ' LEU . 30.3 mt-30 -134.07 87.17 35.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.27 15.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.16 -25.12 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 148.7 7.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 111.076 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.05 7.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -43.44 148.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -124.02 135.23 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mm -100.71 130.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 tp -114.15 148.56 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.38 102.5 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 13' ' ' TRP . 2.7 pp -69.93 152.31 95.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.881 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLY . 23.4 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.343 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.81 76.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.0 -26.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.51 136.67 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ILE . 51.5 m -91.98 126.96 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . 40.0 mm -34.73 -49.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -39.87 -58.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 53' ' ' LEU . 16.6 t80 -44.05 -55.22 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.76 -51.6 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -53.22 -15.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -90.73 -47.57 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 49' ' ' PHE . 4.7 mp -56.88 -58.11 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -59.41 -42.26 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -23.49 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.47 -18.89 54.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -93.23 -34.68 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.08 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.36 -19.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.26 -35.72 74.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -119.95 -40.38 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -76.54 117.62 65.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.21 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.42 156.15 39.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.69 35.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.08 -26.39 22.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.2 18.71 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.22 166.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -135.75 156.31 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -106.31 132.71 52.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.96 129.28 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -141.61 135.02 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.9 t 64.16 30.11 13.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.59 77.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.11 140.43 30.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -69.92 148.55 48.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.69 136.55 47.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -92.93 161.08 14.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -76.3 -7.63 55.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.14 -1.44 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.517 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 18.6 mm-40 -108.37 176.82 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -138.19 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.3 mm? -62.1 -39.23 91.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -39.38 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 11.0 t80 -48.59 -42.71 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.76 -32.69 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.07 23.11 13.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.36 132.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -100.7 152.18 37.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.554 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 2.18 3.78 Favored 'Trans proline' 0 C--O 1.23 0.116 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.22 5.4 23.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.11 -174.74 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.43 . . . . 0.0 110.85 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 m -134.76 136.19 42.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.67 148.14 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -109.72 149.07 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.76 124.45 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.71 123.96 49.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.477 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 1.7 t-105 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -128.22 164.43 22.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.14 160.0 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.36 154.08 20.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.65 154.3 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -148.91 130.96 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -80.86 98.94 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.7 -34.13 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.15 -36.82 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -125.5 93.77 44.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.68 37.16 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.32 -27.43 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.85 146.14 95.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.52 21.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -86.35 142.69 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 m -119.99 131.68 55.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 30' ' ' LEU . 46.3 mm -89.19 137.35 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' N ' HG23 ' A' ' 29' ' ' ILE . 5.6 tp -124.87 132.76 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -112.63 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -79.34 153.08 76.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 6.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.4 70.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.65 -30.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CD2' HD11 ' A' ' 42' ' ' LEU . 16.9 m-85 -53.17 128.73 28.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.354 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ILE . 4.0 m -89.31 127.46 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' SER . 47.2 mm -33.91 -49.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -44.96 -49.76 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 53' ' ' LEU . 37.1 t80 -42.1 -64.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLN . 30.8 mt -48.92 -55.49 11.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -43.76 -22.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.7 mt-30 -86.75 -48.23 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.2 mp -58.92 -57.18 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mp -52.9 -45.63 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.87 81.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.95 79.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -96.91 -33.63 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.1 mt -97.56 28.32 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.05 -16.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -35.26 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 m -115.31 -43.8 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.8 t -75.51 122.81 87.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -154.9 153.63 27.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.75 25.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.18 -27.48 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.3 mt -87.8 19.9 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.05 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.11 174.02 8.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -119.8 139.54 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.8 mm -126.13 134.54 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 73' ' ' CYS . 73.1 t80 -143.02 150.47 39.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 2.3 t 42.28 38.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.64 35.67 92.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -159.48 136.14 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 tmmm? -67.66 148.41 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 10.8 mt -112.87 122.11 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 163.31 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.46 -21.71 48.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.34 -12.82 58.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -84.54 167.14 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -127.67 178.48 6.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.48 -44.88 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' PHE . 11.0 t70 -67.63 -51.8 45.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ASP . 26.6 t80 -36.08 -41.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 32.6 m-85 -94.01 -30.1 14.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.14 30.39 11.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.92 152.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.53 155.3 50.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 27.92 5.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 m -110.92 169.41 8.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 m -120.26 120.52 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.7 141.57 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -104.25 154.23 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.85 134.67 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -125.09 119.06 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.449 ' N ' HD11 ' A' ' 97' ' ' LEU . 38.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 5.1 t-105 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -131.83 149.5 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.09 159.21 42.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.24 150.55 21.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.28 124.94 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -126.99 139.81 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 22' ' ' GLN . 9.7 tp -88.39 123.2 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -73.65 -22.48 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.03 -32.25 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 57.6 mt-30 -127.8 90.08 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.97 -29.65 14.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.54 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.17 53.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -63.42 148.21 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -121.39 117.3 26.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.09 128.26 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 tp -112.78 141.42 46.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -130.69 107.07 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -69.84 151.87 96.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLY . 42.1 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.8 41.96 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -33.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -53.32 139.9 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.955 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -91.43 131.63 36.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -39.59 -43.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -47.33 -51.24 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 53' ' ' LEU . 13.0 t80 -42.54 -65.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLN . 27.2 mt -46.77 -55.92 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -43.88 -22.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.4 mt-30 -89.61 -45.78 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -59.71 -44.51 93.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 HG22 ' CG2' ' A' ' 96' ' ' VAL . 4.0 mp -64.37 -52.83 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.94 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.89 -28.88 53.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -87.87 -34.88 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.334 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -97.1 25.89 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -51.91 -16.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.02 -33.36 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -114.05 -42.83 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.7 t -84.38 118.78 71.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.02 149.96 51.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -20.77 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -84.38 -26.25 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.1 mt -86.94 10.7 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 pt -129.55 177.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 1.3 p30 -150.76 153.37 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.7 tp -100.47 129.73 46.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.0 mm -113.37 124.46 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t80 -138.52 150.51 46.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 6.0 t 48.82 30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.44 71.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -154.82 137.24 14.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -61.77 152.04 32.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 23.1 mt -113.44 114.26 26.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -64.23 155.81 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -86.6 27.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -126.2 7.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -115.6 -177.74 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.537 ' OG1' ' CD1' ' A' ' 85' ' ' PHE . 67.6 p -130.16 172.16 12.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.67 -36.66 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.46 -43.04 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 3.6 m-30 -43.5 -54.41 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.416 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 79.3 m-85 -85.39 -28.49 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.83 18.08 26.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.42 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.0 mt -60.16 132.25 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -119.53 159.26 46.71 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.586 0.707 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.487 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 90.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.73 -16.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -69.82 -176.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 m -134.88 116.74 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -102.16 156.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -115.82 131.8 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.445 ' CG2' HG22 ' A' ' 54' ' ' ILE . 71.9 t -84.96 145.68 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' HB3' ' CG ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -128.59 140.88 51.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.526 ' CH2' ' HD3' ' A' ' 90' ' ' PRO . 9.2 t-105 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -131.0 158.89 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 7.6 tp -145.89 153.68 41.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.29 152.74 18.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -139.51 135.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -132.02 143.37 50.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HG ' ' CG ' ' A' ' 21' ' ' ASP . 7.9 tp -85.58 113.87 22.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -67.1 -27.52 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -81.64 -29.05 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -124.86 88.81 53.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.22 15.69 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.83 -30.69 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 154.13 3.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.33 27.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -85.26 150.51 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -122.52 115.56 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.69 114.18 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 tp -105.17 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -127.74 103.26 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -63.99 152.01 88.39 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.733 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 45' ' ' TYR . 12.5 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.68 68.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.88 -28.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -53.79 142.87 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ILE . 84.4 p -95.58 126.72 41.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.3 mm -35.5 -49.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -39.73 -55.0 2.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 53' ' ' LEU . 20.4 t80 -42.04 -66.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.9 mt -45.66 -57.18 4.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -40.85 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.9 mt-30 -86.83 -44.27 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -62.78 -50.85 69.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -59.47 -49.38 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.84 -29.93 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -27.19 71.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -87.61 -38.51 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.1 mt -74.59 0.48 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -31.82 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' LEU . 15.3 pt-20 -41.22 -50.81 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 2.0 m -116.34 -32.24 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.72 112.16 24.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.64 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.2 153.86 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.537 0.684 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -21.48 33.54 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.61 -28.29 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.96 -179.39 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -147.53 161.26 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 tp -116.38 128.22 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.5 133.85 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 23.0 t80 -143.17 150.93 40.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 35.5 t 45.29 38.57 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.59 80.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 9.5 ptp180 -155.1 140.85 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.85 140.66 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.1 mt -100.29 113.75 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.42 157.88 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -28.29 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.1 -20.07 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -85.65 171.78 11.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.2 p -132.5 169.96 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -57.71 -35.94 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.49 -47.02 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -40.63 -47.44 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.459 ' CE1' ' HD2' ' A' ' 75' ' ' ARG . 46.1 m-85 -88.63 -34.3 17.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.89 16.71 18.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.95 146.52 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 mt-30 -132.36 161.68 61.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.526 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.37 11.8 14.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 m -103.2 173.51 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.41 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -129.61 133.63 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -107.76 166.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.58 132.31 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 58' ' ' LEU . 53.5 t -94.03 141.86 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -126.41 122.04 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.464 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.6 mtt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.535 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 11.0 t-105 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -128.87 131.63 47.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 11.2 tp -123.28 157.81 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 153.48 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.22 121.94 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -117.69 157.62 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.5 tp -106.24 103.57 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.98 69.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -67.68 -29.57 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -133.9 88.43 32.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -8.19 22.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.54 -28.81 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 160.2 9.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 111.099 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 172.6 12.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -96.85 155.4 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -127.78 143.25 51.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -106.68 133.88 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.9 tp -119.8 144.96 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -122.15 102.16 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -71.53 151.45 93.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 13' ' ' TRP . 22.0 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.58 58.64 2.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.84 -31.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 29.6 m-85 -60.97 141.34 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.967 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.3 m -92.66 129.13 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 24.2 mm -34.25 -51.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -45.17 -48.03 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 35.4 t80 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.32 -53.63 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -43.64 -23.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -84.7 -50.72 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.5 mp -56.8 -51.47 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.27 69.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.64 -19.17 72.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -99.02 -36.69 9.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 60' ' ' GLU . 36.2 mt -74.0 2.2 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -32.54 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.3 pp20? -44.39 -50.95 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -115.13 -34.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.5 112.19 26.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -142.65 154.48 62.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.96 32.89 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -85.8 -25.23 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.38 19.17 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -143.56 177.85 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -139.29 -175.9 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -136.17 130.03 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 23.1 mm -121.59 131.31 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.483 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 3.7 t80 -142.76 129.95 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.2 t 69.36 30.87 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.21 31.86 68.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.2 ptm85 -160.47 144.01 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 9.0 ttmt -71.03 157.57 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 5.3 mt -118.24 125.46 50.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 165.35 25.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 16.4 p-10 -88.68 21.64 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.42 8.19 10.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 6.0 mm-40 -115.9 168.78 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 p -119.95 170.03 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -56.39 -41.46 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.77 -37.34 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 5.2 t80 -51.98 -46.22 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 13.8 m-85 -84.41 -32.22 24.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.43 21.47 9.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.8 mt -66.15 146.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt-30 -131.09 161.61 60.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.4 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.74 3.3 2.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.98 20.37 6.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 m -134.84 134.39 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -113.3 132.04 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.25 120.59 33.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.19 131.43 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 118.06 27.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.3 t-105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.48 134.0 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 tp -119.53 155.37 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.61 138.37 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 18' ' ' LYS . 68.5 t -124.36 146.26 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 17' ' ' VAL . 21.6 mmmt -147.28 130.99 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 tp -78.45 106.05 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.95 -37.44 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -122.66 95.37 46.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -11.6 31.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.46 -35.38 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.91 148.53 3.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -86.71 146.29 26.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -122.13 107.48 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -73.89 123.52 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.91 144.81 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.56 99.77 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.5 152.67 91.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.4 mt . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.13 71.01 0.14 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.11 -28.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 13.0 m-85 -64.39 124.31 21.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' ILE . 49.6 p -81.39 128.05 33.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.6 mm -34.12 -44.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 79' ' ' ASP . 33.7 t -47.47 -51.86 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 46.0 t80 -46.07 -65.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LEU . 16.8 mt -44.12 -58.18 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -38.41 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 28.4 mt-30 -81.68 -41.57 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 5.2 mp -65.43 -56.19 13.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mp -56.49 -52.49 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.0 -30.82 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.68 -22.76 78.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -94.16 -37.27 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.5 mt -74.41 2.59 9.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -32.73 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.8 pp20? -38.79 -47.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 2.9 m -121.1 -29.28 4.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 68' ' ' ILE . 95.6 t -79.08 111.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -145.07 153.28 53.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.0 37.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -86.76 -29.87 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.76 22.8 2.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.426 ' CG2' HG13 ' A' ' 62' ' ' VAL . 2.8 pp -142.81 176.99 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.12 172.83 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.17 133.51 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.9 mm -124.6 135.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.492 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 63.8 t80 -143.0 139.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.492 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 52.08 35.87 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.83 20.97 72.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 31.3 ptt180 -141.91 133.68 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 140.47 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.4 mt -101.63 127.61 48.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -84.42 159.53 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 97.6 m-20 -71.18 -21.63 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.67 -18.4 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 3.6 mp0 -92.4 178.07 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.5 p -140.77 -175.18 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.7 mm? -62.75 -51.98 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' PHE . 9.6 t70 -67.55 -43.39 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.483 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -36.94 -45.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 81' ' ' GLN . 60.4 m-85 -94.19 -35.19 12.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.95 34.36 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -71.28 147.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -122.46 154.02 62.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.73 89.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.26 -22.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.7 p -63.82 -179.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 m -132.65 124.48 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.92 156.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 97' ' ' LEU . 39.0 t -98.87 133.83 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' N ' HG11 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -117.2 117.6 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CD1' HD23 ' A' ' 32' ' ' LEU . 6.9 t-105 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -131.68 149.42 52.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -133.07 159.69 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.03 143.64 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' HD12 ' A' ' 58' ' ' LEU . 90.0 t -122.27 132.36 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -133.17 140.2 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 tp -91.49 106.37 18.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.61 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.89 -28.11 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -128.87 88.48 51.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.38 18.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.49 -30.6 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.17 148.59 2.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.5 17.69 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -59.21 139.82 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -118.94 138.24 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.2 135.02 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 tp -106.72 146.7 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -129.36 107.93 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -79.22 150.78 74.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLY . 10.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.2 59.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.27 -28.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.03 130.41 45.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.2 m -86.39 129.13 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' SER . 36.2 mm -36.22 -48.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -39.51 -53.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.507 ' CE1' HD11 ' A' ' 53' ' ' LEU . 26.9 t80 -47.16 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.3 mt -46.22 -56.25 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -41.46 -24.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' LEU . 18.2 mt-30 -88.38 -47.13 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 49' ' ' PHE . 4.9 mp -53.66 -49.03 68.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.1 -55.45 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.67 -33.95 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -28.94 66.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -85.13 -26.18 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 HD12 ' CG1' ' A' ' 17' ' ' VAL . 25.3 mt -102.75 24.97 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.06 -15.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.28 -35.72 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -119.26 -43.61 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -72.21 120.69 81.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -152.4 152.09 28.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -15.41 36.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.5 -29.62 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -87.36 14.55 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.03 167.46 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -131.46 164.79 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 tp -112.35 141.02 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.0 mm -129.77 131.6 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.553 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 80.6 t80 -139.71 145.9 38.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 50.22 28.45 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.43 26.76 69.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -149.95 134.05 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 148.88 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -111.91 124.55 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -78.11 159.13 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.56 0.5 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.99 -9.44 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.5 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 1.4 mp0 -101.58 173.35 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.8 p -131.64 -175.2 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.64 -52.51 64.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' GLY . 5.4 t70 -57.72 -56.38 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 10.2 t80 -34.45 -48.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -88.83 -25.98 21.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 83.36 25.48 47.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mt -52.78 138.98 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -107.16 153.5 41.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.27 25.43 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.4 p -105.35 179.46 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.981 0.42 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.3 m -134.23 140.23 46.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -118.0 162.8 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -123.79 147.87 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.73 126.41 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.68 119.84 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtm105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.519 ' CD2' ' HB3' ' A' ' 90' ' ' PRO . 4.7 t-105 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -129.67 149.88 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -135.73 156.1 49.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.59 149.69 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.05 129.16 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -130.63 136.32 48.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.98 116.02 22.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.57 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -123.23 92.17 49.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -6.96 19.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -98.74 -34.17 10.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.78 154.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.91 68.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -76.31 142.77 41.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -118.76 126.96 53.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.95 128.08 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 8.8 tp -109.86 145.47 36.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -133.74 112.65 11.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.25 154.81 76.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 3.1 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.885 0.374 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 32.61 76.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.12 -31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.04 122.4 14.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -82.46 135.07 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -44.67 -46.26 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -43.73 -41.3 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 53' ' ' LEU . 21.8 t80 -51.23 -61.14 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' GLN . 15.4 mt -50.5 -52.79 35.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -44.05 -22.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 50' ' ' LEU . 26.1 mt-30 -88.71 -53.15 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -57.02 -40.69 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -64.75 -55.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.09 -28.77 41.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' O ' ' NE2' ' A' ' 59' ' ' GLN . . . -80.08 -25.67 57.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 17.0 mmmt -88.03 -38.04 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.81 24.5 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 20.2 mt-30 -49.92 -18.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -64.38 -34.26 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -117.67 -44.65 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.44 118.13 69.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.36 154.58 36.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -20.76 34.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -85.21 -28.21 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.48 20.83 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -142.72 167.91 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.45 161.5 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 tp -113.38 125.88 54.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mm -114.64 129.93 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.498 ' CZ ' HG12 ' A' ' 88' ' ' ILE . 52.9 t80 -140.62 141.38 35.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 4.7 t 54.33 25.82 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.68 26.15 61.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -153.22 136.56 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.07 132.07 47.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 76' ' ' LYS . 15.8 mt -92.34 119.27 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -66.35 159.75 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.86 28.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -122.41 -26.09 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 85' ' ' PHE . 6.2 mp0 -85.4 177.5 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 p -128.57 173.56 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -54.05 -53.5 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.28 -34.7 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 81' ' ' GLN . 8.4 t80 -52.18 -45.36 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -90.22 -22.64 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.69 29.45 23.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.498 HG12 ' CZ ' ' A' ' 72' ' ' TYR . 37.1 mt -65.48 155.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 21.2 mp0 -122.72 149.5 56.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.709 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.519 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.76 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.54 -11.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 p -66.02 -178.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -131.3 116.27 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -101.62 131.3 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.8 141.65 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.7 t -100.95 137.7 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -132.91 124.63 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.449 ' N ' HD13 ' A' ' 97' ' ' LEU . 11.3 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.544 ' CD1' HD23 ' A' ' 32' ' ' LEU . 5.2 t-105 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.762 0.315 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -129.84 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.07 153.94 46.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . . . -100.14 140.25 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.45 125.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -120.34 138.68 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 tp -91.04 102.29 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -39.41 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.07 -37.29 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -119.69 93.67 47.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.73 24.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -98.94 -34.59 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.66 151.91 0.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.72 13.96 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CD ' HD11 ' A' ' 29' ' ' ILE . 16.3 ttmt -84.63 152.21 23.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.07 106.88 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 HD11 ' CD ' ' A' ' 27' ' ' LYS . 24.7 mm -78.75 120.92 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 11.8 tp -104.1 141.87 35.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -122.15 96.48 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -63.32 151.66 86.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 45' ' ' TYR . 41.6 mt . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.41 74.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.37 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' HD12 ' A' ' 42' ' ' LEU . 21.1 m-85 -49.07 138.97 11.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' ILE . 22.5 p -89.53 126.53 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.7 mm -36.78 -43.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 p -49.28 -48.03 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 36.2 t80 -47.16 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' LEU . 17.7 mt -43.48 -60.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 79.3 mttt -36.31 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.3 mt-30 -79.11 -44.8 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 5.0 mp -61.99 -51.62 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -57.47 -56.85 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.62 -37.66 28.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -31.85 64.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 10.8 mmtp -81.97 -30.15 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.27 26.03 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.7 -18.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.7 pt-20 -62.29 -39.9 94.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.4 m -113.86 -43.26 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.2 t -70.59 119.09 70.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.54 151.37 28.64 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -17.97 37.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -87.04 -30.85 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.69 27.07 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.74 171.27 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.69 170.88 14.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -116.46 133.19 56.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . 41.7 mm -122.5 129.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.467 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 33.5 t80 -142.85 140.6 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 8.3 t 55.22 37.96 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.02 31.91 82.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -158.01 135.07 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 13.2 ttpp -69.6 147.85 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 9.5 mt -110.71 127.02 55.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 81' ' ' GLN . 3.4 ptpt -61.56 174.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.11 13.94 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.34 -9.89 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' CG ' ' A' ' 85' ' ' PHE . 15.0 mm-40 -88.11 -178.08 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.0 p -128.77 164.27 23.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.92 -37.2 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' PHE . 18.0 t70 -71.12 -51.14 26.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 32.4 t80 -34.02 -56.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 48.8 m-85 -76.82 -30.97 56.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 96.71 37.71 4.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -81.82 133.03 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.52 155.07 44.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.507 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.8 -24.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -65.3 -175.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -131.95 118.42 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.8 m -100.66 144.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -101.85 146.64 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 97' ' ' LEU . 47.8 t -113.12 136.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 96' ' ' VAL . 1.5 tm? -128.05 121.33 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.487 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 t-105 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -127.44 160.21 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -145.25 159.52 42.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.84 147.03 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.34 123.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' CG ' HG22 ' A' ' 93' ' ' THR . 17.2 mmmt -120.43 151.53 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -99.81 106.54 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.19 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.64 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -126.36 92.44 45.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.18 25.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -96.53 -33.33 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 149.97 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.143 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.6 67.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.41 140.47 46.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.72 159.08 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.15 123.29 68.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 tp -108.52 125.97 52.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -113.89 94.67 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -64.25 152.44 88.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 46.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.43 68.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.11 -31.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.98 141.57 53.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.7 m -92.99 127.77 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.6 mm -36.15 -49.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -42.2 -52.07 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' HD12 ' A' ' 53' ' ' LEU . 14.7 t80 -41.8 -65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.6 mt -46.2 -57.43 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.22 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' LEU . 24.9 mt-30 -88.26 -49.64 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -59.6 -38.77 82.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.57 -56.29 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.43 -31.78 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.19 -31.63 46.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -80.52 -28.13 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.67 29.39 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -51.28 -16.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.49 -33.48 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -113.11 -51.79 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG1' HG12 ' A' ' 68' ' ' ILE . 2.9 t -87.74 114.27 58.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -142.06 151.19 58.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -24.63 29.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -77.84 -26.52 49.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.06 18.23 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG12 ' CG1' ' A' ' 62' ' ' VAL . 2.4 pp -144.93 172.0 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -136.34 152.59 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -103.85 126.45 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.94 132.93 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 81.7 t80 -141.84 138.04 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.463 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 3.9 m 56.94 25.14 10.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 16.57 78.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -140.45 130.26 24.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -62.01 141.85 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -103.26 129.47 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -96.47 161.42 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.68 5.8 10.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -90.95 -17.41 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.56 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 3.9 mp0 -109.69 -177.5 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -131.55 -179.5 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.84 -46.03 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -45.21 79.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 81' ' ' GLN . 21.9 t80 -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -92.91 -21.83 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.92 36.51 11.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 22.1 mt -69.91 151.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 24.1 mp0 -119.57 151.28 51.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.3 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.58 7.23 13.83 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.89 -178.66 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.4 HG22 ' CG ' ' A' ' 18' ' ' LYS . 2.4 m -134.96 134.86 40.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -104.33 168.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.18 131.48 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 t -97.39 125.17 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 126.55 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 98' ' ' ARG . 5.3 mmm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -48.21 -47.55 35.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -45.21 -60.38 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.54 -160.77 14.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 t -102.53 106.54 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -140.41 134.19 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.9 85.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -66.02 170.83 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.0 m -117.32 159.2 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -86.97 128.66 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.3 p -93.88 163.43 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.89 -53.28 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.1 t-105 -59.36 124.78 21.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -129.06 158.98 37.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.58 152.3 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.4 141.87 31.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.7 t -125.49 124.88 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.64 136.4 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.3 108.64 15.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.75 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -67.57 -25.46 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -134.09 88.1 32.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.82 22.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -93.75 -28.71 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 148.56 60.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.87 41.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -68.58 139.55 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -106.14 156.9 17.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.41 ' CG2' ' OE1' ' A' ' 31' ' ' GLN . 47.4 mm -106.24 120.39 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 tp -105.55 116.79 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 1.1 mp0 -102.85 102.37 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.1 pp -71.19 152.85 94.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 173.78 10.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -84.1 160.89 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -117.73 157.18 26.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.72 -23.53 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.63 179.89 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.8 -148.5 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -24.95 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -43.3 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' TYR . 39.7 t -34.86 111.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 mt -38.87 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 43.86 56.76 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -30.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -53.38 155.79 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.1 m -114.49 129.8 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.4 mm -36.64 -53.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ILE . 6.2 t -34.58 -51.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CD2' HD12 ' A' ' 53' ' ' LEU . 20.3 t80 -50.6 -58.19 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.83 -52.11 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -45.95 -22.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.56 -54.46 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 49' ' ' PHE . 5.4 mp -50.07 -55.33 15.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.94 -50.21 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 -23.31 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.17 -25.59 51.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -90.49 -35.49 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -91.02 21.82 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -50.25 -17.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.62 -36.02 82.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -116.04 -44.53 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.46 121.59 85.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.28 155.63 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.56 34.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.84 -29.68 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.38 19.27 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 69' ' ' ASP . 2.8 pp -139.59 -175.39 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' N ' HD11 ' A' ' 68' ' ' ILE . 20.2 m-20 -154.73 170.4 21.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.26 134.71 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 12.6 mm -119.67 128.24 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CB ' HD12 ' A' ' 77' ' ' LEU . 70.9 t80 -137.26 140.6 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 32.2 t 58.24 27.18 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.43 16.41 80.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -142.46 138.94 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -62.37 157.42 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD22 ' CE2' ' A' ' 86' ' ' TYR . 15.9 mt -119.07 120.4 37.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.62 164.98 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.24 6.72 28.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -110.26 10.65 23.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.49 173.54 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -129.73 163.33 26.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -59.87 -35.23 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.78 -32.77 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.1 -45.99 86.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CE2' HD22 ' A' ' 77' ' ' LEU . 27.5 m-85 -84.01 -30.95 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.99 16.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.53 144.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -130.09 158.75 73.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.54 -22.07 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -67.93 -179.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -134.58 126.31 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.7 m -102.23 166.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.06 135.98 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.93 135.9 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -128.9 129.04 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.443 ' N ' HD11 ' A' ' 97' ' ' LEU . 45.7 mtm180 -82.31 132.03 35.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.72 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -152.46 177.86 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.404 ' CD2' ' N ' ' A' ' 102' ' ' SER . 17.5 t-105 -84.93 152.05 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.404 ' N ' ' CD2' ' A' ' 101' ' ' TRP . 2.1 t -43.39 -67.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.46 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 169.95 -60.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 54.4 Cg_endo -69.75 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.411 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.0 m -49.37 127.72 15.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -167.36 120.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -50.82 -49.29 58.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -87.8 176.61 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.56 93.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.434 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -118.48 94.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -158.67 160.18 36.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.81 140.17 10.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtt -109.85 128.47 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -109.79 -179.37 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 10' ' ' LEU . 6.6 mp -113.74 165.56 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.2 m -156.46 178.39 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -119.49 -64.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 3.2 t-105 -61.55 124.6 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -130.75 159.15 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -143.01 155.97 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.93 150.08 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -139.63 141.92 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -136.62 125.16 23.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 22' ' ' GLN . 13.7 tp -68.38 109.28 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.85 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.8 -24.55 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 19' ' ' LEU . 30.7 mt-30 -132.85 84.85 48.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.81 14.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.13 -27.01 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.0 154.14 2.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.49 16.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -44.68 140.57 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -79.26 128.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -109.28 150.56 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -130.62 102.7 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 2.8 pp -71.9 152.19 93.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 106.78 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.647 2.232 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -54.06 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.434 ' CG2' ' CE1' ' A' ' 40' ' ' TYR . 13.9 p -102.57 166.37 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -96.14 -24.69 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.8 14.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.16 119.4 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -41.46 126.13 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' CE1' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.7 -174.96 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 71.4 p -58.34 86.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' SER . 32.1 mt -34.11 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.27 60.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.55 -31.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -55.88 136.13 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.7 m -96.48 131.93 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.8 mm -34.49 -53.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -39.46 -51.55 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 53' ' ' LEU . 11.1 t80 -43.91 -64.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.39 -51.74 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -47.42 -20.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -90.58 -51.75 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.5 mp -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.38 -54.63 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.31 -18.26 67.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -99.82 -31.97 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.14 27.52 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.24 -17.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.88 -34.2 77.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -42.22 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 68' ' ' ILE . 3.2 t -89.45 120.32 69.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.97 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.69 150.98 31.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.815 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -22.44 32.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.07 -35.04 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.46 11.05 6.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' A' ' 62' ' ' VAL . 2.8 pp -140.34 161.22 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.02 175.61 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.78 138.44 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.4 mm -123.92 126.67 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 73' ' ' CYS . 59.5 t80 -141.16 146.45 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.0 t 52.14 29.34 6.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 27.09 71.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -149.82 140.72 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.04 139.79 54.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 86' ' ' TYR . 23.5 mt -101.29 128.77 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -90.57 161.47 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -73.84 -2.12 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.71 3.31 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -111.12 157.36 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' LEU . 33.3 p -124.35 151.34 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.3 mm? -35.85 -44.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.11 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.2 t80 -41.65 -49.95 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 77' ' ' LEU . 33.0 m-85 -85.45 -26.43 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.12 30.96 18.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.12 129.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -101.62 155.25 36.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 96.46 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.24 -26.67 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 p -49.82 178.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -129.19 123.52 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -113.57 150.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -110.07 139.94 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.2 130.18 52.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.57 118.36 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -78.87 143.39 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -65.96 141.72 58.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.9 t -83.11 -52.82 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 102' ' ' SER . 6.9 t90 -77.87 154.09 32.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.569 ' O ' ' CE3' ' A' ' 101' ' ' TRP . 67.9 m -47.89 167.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.38 139.53 15.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 53.5 Cg_endo -69.82 -28.32 25.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -40.55 104.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.5 m -118.49 87.04 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -123.01 132.88 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -55.97 146.12 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 150.4 -110.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 47.8 p 36.46 41.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -82.56 158.77 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.38 65.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.11 40.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -125.32 112.85 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 10' ' ' LEU . 3.9 mm? -66.92 170.58 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -73.69 159.62 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.65 -52.52 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 4.8 t-105 -82.13 124.71 30.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -131.0 167.05 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -151.76 160.84 43.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.32 154.57 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.49 131.45 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 5.3 mmmm -130.9 147.7 52.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -97.4 124.1 41.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.14 -30.75 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -127.26 90.03 50.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.7 -31.54 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.69 149.83 1.39 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.74 40.9 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -66.66 150.97 48.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -129.34 140.66 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 30' ' ' LEU . 29.8 mm -100.88 133.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 12.2 tp -111.86 124.68 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.84 104.13 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.05 152.02 88.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 119.7 6.61 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.86 154.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -112.18 154.15 25.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.73 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 37' ' ' LEU . 3.9 mm? -65.87 -49.6 67.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.22 -169.84 30.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -95.02 -29.88 14.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -42.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LEU . 46.7 t -34.54 95.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' TYR . 10.1 mt -34.64 -56.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.78 76.69 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.56 -40.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -48.65 139.01 10.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -91.34 127.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -42.19 -42.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -42.94 -52.9 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 53' ' ' LEU . 14.2 t80 -46.6 -63.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -46.97 -54.28 10.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.25 -45.74 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.1 mp -57.59 -49.6 75.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.37 -54.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.78 -24.32 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -18.28 68.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 28.8 mmtt -98.12 -32.19 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' GLU . 16.1 mt -96.47 22.8 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -45.95 -21.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' SER . 9.6 pt-20 -55.95 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.0 m -112.91 -39.88 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.57 112.2 32.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 143.6 41.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -11.81 31.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.98 -30.32 14.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.93 20.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.38 163.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -129.16 155.65 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -107.43 134.97 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mm -119.03 134.48 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -139.16 135.56 34.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 m 56.51 27.11 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.18 20.01 76.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -145.08 126.84 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.44 153.34 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.4 mt -118.3 128.21 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -79.93 156.95 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.2 p30 -77.12 -0.43 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -96.75 -9.16 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.51 ' HG3' ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -94.37 176.52 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -136.16 161.86 34.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -47.11 -42.98 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -67.65 -51.35 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.51 ' CG ' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -34.87 -49.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.58 -26.03 17.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.64 26.74 31.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.9 mt -50.4 139.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 18.7 mp0 -103.0 150.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.26 23.21 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 p -98.16 -179.75 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -134.68 127.38 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.11 174.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 93.5 m-70 -142.06 131.52 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 t -93.43 140.8 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -126.73 124.65 40.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.15 130.3 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.75 -60.7 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -148.26 178.95 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -65.36 149.45 49.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -60.01 -73.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.45 83.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.617 2.211 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 t -70.04 -57.17 5.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 t -81.25 144.86 31.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -150.52 137.98 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -53.43 135.17 39.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.42 -109.14 3.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -56.55 101.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 p -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.1 -91.46 0.51 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ptm -156.93 167.46 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -46.91 166.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mp -88.35 -65.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 p -68.13 137.29 54.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.26 -50.54 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.526 ' CE3' ' HG ' ' A' ' 42' ' ' LEU . 3.9 t-105 -56.66 128.95 38.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -131.45 159.43 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 tp -149.71 155.92 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.84 155.28 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.86 134.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -140.21 125.18 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.09 126.68 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -29.44 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.29 -31.39 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.41 88.11 51.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.43 16.18 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.83 -29.03 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.62 154.12 4.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.079 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 166.28 28.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -88.48 155.45 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -127.57 115.26 18.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.83 114.43 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 54' ' ' ILE . 9.6 tp -103.57 145.44 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -130.58 98.54 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.4 pp -64.2 150.37 92.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.94 69.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.11 161.2 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -112.6 168.44 9.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.81 76.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' GLY . 4.2 mm? -69.75 92.24 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' LEU . . . 35.26 -153.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -124.7 -20.2 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -47.58 175.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' TYR . 4.4 t -36.38 112.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.809 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 16.7 mt -42.25 -62.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.13 69.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.42 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.8 150.33 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.5 m -104.26 139.23 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -46.29 -47.7 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -39.69 -47.53 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -50.19 -64.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.0 mt -45.91 -56.84 4.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -40.6 -24.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . 14.3 mt-30 -85.98 -46.51 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 32' ' ' LEU . 5.2 mp -59.22 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.401 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.3 mp -55.42 -52.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.94 -32.47 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.55 -31.28 30.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -74.38 -30.36 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.3 24.86 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -48.37 -19.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.11 -38.32 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.93 -44.37 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -75.52 114.94 41.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HG3' ' NH1' ' A' ' 98' ' ' ARG . 53.3 Cg_endo -69.77 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.61 154.07 47.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.7 36.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.19 -24.51 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 mt -92.38 21.29 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -142.37 -179.72 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.19 154.03 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.89 129.82 48.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.1 mm -115.79 125.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -133.29 135.21 44.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 5.5 t 56.55 27.35 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.64 19.72 75.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -142.94 132.37 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -62.11 153.9 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -114.34 129.78 56.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -81.89 158.71 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -1.17 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.92 4.2 42.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -108.1 177.53 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -136.68 165.26 26.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -53.82 -54.17 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -37.24 80.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 5.1 t80 -51.37 -49.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.83 -28.11 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.85 15.11 29.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.3 151.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -137.72 158.48 71.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 81.04 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.98 -26.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 m -66.27 -176.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 m -134.51 132.72 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -113.28 154.05 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.84 134.89 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.25 129.24 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 126.96 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' NH1' ' HG3' ' A' ' 63' ' ' PRO . 9.7 mmm180 -77.97 124.39 27.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -53.46 -46.53 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -54.34 124.43 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' SER . 11.6 t-105 -84.77 133.3 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' TRP . 58.7 m -35.35 -59.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.19 77.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 101' ' ' TRP . 53.8 Cg_endo -69.75 100.19 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.9 t -72.92 81.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -79.79 129.98 34.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -147.74 174.17 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -80.44 169.96 17.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.44 118.22 4.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -60.63 140.98 57.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -90.3 104.58 17.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.46 -39.44 2.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpt -85.4 117.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -86.49 167.92 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -112.7 -64.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 p -120.14 173.26 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -105.61 -48.22 3.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.4 t-105 -69.49 126.72 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -131.86 143.36 50.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.52 156.45 46.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.7 155.27 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.26 139.05 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 18.7 mmmt -136.55 140.45 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -88.47 110.73 21.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -59.85 -31.34 69.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.12 -36.51 84.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 39.0 mt-30 -128.07 94.48 36.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.739 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.5 Cg_endo -69.78 -4.23 13.61 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.02 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.65 156.15 1.25 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 111.064 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 151.59 69.41 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.08 147.3 34.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 m -126.31 117.01 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -82.86 124.64 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 13.7 tp -105.09 121.65 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.87 98.93 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' A' ' 13' ' ' TRP . 3.9 pp -66.8 150.33 97.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.54 4.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -46.81 158.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -115.72 142.79 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -39.91 -27.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' THR . 1.9 mm? -53.17 -54.86 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.7 -176.7 29.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -85.37 -36.4 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.1 161.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' TYR . 69.1 p -34.21 109.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 39.3 mt -49.23 -62.19 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.76 77.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.63 -28.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.5 m-85 -54.24 157.54 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 p -110.07 127.33 54.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -38.04 -41.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -45.45 -55.35 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -45.05 -63.48 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.0 mt -45.88 -56.21 5.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -40.02 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 50' ' ' LEU . 23.5 mt-30 -86.81 -43.65 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 4.7 mp -58.98 -45.15 91.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CG2' HD11 ' A' ' 58' ' ' LEU . 4.6 mp -68.32 -64.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.48 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.52 -25.27 65.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -94.25 -24.16 17.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD11 ' CG2' ' A' ' 54' ' ' ILE . 23.5 mt -102.29 29.71 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -52.17 -16.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.83 -32.65 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.4 -48.04 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -83.95 116.99 67.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.03 150.63 39.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.82 33.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.69 -30.32 15.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.51 15.96 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.97 176.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -139.04 154.43 48.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -107.26 124.96 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.7 mm -112.35 129.52 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 71.4 t80 -140.46 142.79 35.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 5.9 m 51.98 28.79 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.52 70.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -151.82 132.66 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.95 153.63 20.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 72' ' ' TYR . 9.7 mt -116.01 116.45 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -71.81 157.71 37.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.13 -3.42 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -96.29 -0.46 49.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.528 ' CD ' ' CE1' ' A' ' 85' ' ' PHE . 33.6 mm-40 -109.02 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 p -128.45 178.06 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -61.8 -53.29 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.98 -42.52 99.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' ' CD ' ' A' ' 81' ' ' GLN . 38.0 t80 -47.97 -36.54 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -94.52 -31.98 13.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 98.88 46.03 2.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.537 HG12 ' CE2' ' A' ' 72' ' ' TYR . 28.8 mt -97.42 145.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 111.179 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.66 160.52 60.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.12 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.56 -22.35 2.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -67.18 177.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 m -130.44 129.65 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 m -106.26 156.71 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 87.8 m-70 -121.98 126.82 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 53.2 t -86.65 152.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -135.6 117.94 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.424 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.7 mtm180 -70.81 133.32 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -74.26 106.5 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -94.83 102.84 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 102' ' ' SER . 1.8 p90 -102.87 -35.3 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.412 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 13.6 m -155.86 -176.97 6.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -117.67 83.1 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 158.83 55.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.7 p -160.61 175.04 13.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -84.82 147.99 26.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.47 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -119.88 147.29 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.15 -158.58 27.25 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -154.44 143.03 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -137.53 126.97 24.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.43 93.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 mtm -72.49 -52.86 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -162.28 162.96 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 10' ' ' LEU . 3.1 mp -120.28 133.59 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 p -105.33 -175.8 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -128.62 -35.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 7.6 t-105 -67.45 122.27 17.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -131.19 164.43 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.56 161.0 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.57 152.07 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.2 t -134.73 133.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.7 129.7 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 tp -77.11 109.8 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.02 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.99 -32.38 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.02 92.94 40.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.38 18.46 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.05 -27.41 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.3 148.4 23.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.687 . . . . 0.0 111.162 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.14 66.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -74.62 147.04 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -121.15 152.63 38.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 mm -112.21 124.34 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.35 152.05 22.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -132.22 97.83 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 3.9 pp -68.82 151.42 97.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 172.18 13.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 35' ' ' THR . 35.0 tt0 -75.76 157.56 33.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.408 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 15.3 t -114.34 169.33 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.35 -41.96 52.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.69 -72.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.0 -135.86 3.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.44 -34.26 3.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -52.4 -16.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -175.29 148.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 1.6 mt -114.27 -65.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.88 86.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.24 -23.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -62.18 131.95 51.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ILE . 17.8 m -88.07 130.5 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 20.4 mm -37.56 -42.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.2 -54.89 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 53' ' ' LEU . 5.8 t80 -40.79 -64.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.0 mt -47.01 -57.86 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -43.79 -22.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 20.3 mt-30 -90.33 -43.36 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -63.43 -58.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -55.26 -50.0 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.19 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.15 -23.56 56.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -87.65 -33.54 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mt -98.55 26.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -49.35 -18.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.98 -35.93 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -113.44 -41.24 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.434 HG11 ' CG2' ' A' ' 68' ' ' ILE . 66.7 t -76.84 115.45 48.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' CD ' ' HD3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.01 144.95 31.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.44 30.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.0 -33.41 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' HG3' ' A' ' 99' ' ' LYS . 35.0 mt -83.79 22.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' HG11 ' A' ' 62' ' ' VAL . 2.6 pp -135.88 153.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.89 157.15 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.69 129.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.31 131.77 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.41 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 84.8 t80 -142.73 140.89 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 53.48 27.64 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.02 20.38 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.61 128.88 21.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 3.4 tmmm? -65.56 146.64 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 5.0 mt -110.5 124.47 51.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -73.19 165.67 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.92 0.28 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -95.58 -13.29 24.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -95.01 176.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.7 p -134.03 170.65 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.62 -42.17 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.03 -45.09 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -47.71 -39.11 16.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.464 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 23.1 m-85 -94.57 -25.09 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.13 39.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 17.5 mt -60.45 154.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 47.2 mm-40 -120.83 149.52 50.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.74 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.75 5.15 16.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.1 m -93.18 177.41 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -130.63 129.97 43.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.34 161.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -118.62 145.53 45.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 125.9 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.3 124.69 51.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HD3' ' CD ' ' A' ' 63' ' ' PRO . 16.0 mtm180 -79.1 127.9 32.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 67' ' ' LEU . 1.9 ptpt -93.23 49.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 m -159.19 169.38 24.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 102' ' ' SER . 8.7 p90 -119.32 -48.64 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 33.7 t -120.51 -50.37 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.43 67.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HG3' ' CZ3' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.72 -1.52 8.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 m -84.17 177.7 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.2 p -110.89 153.71 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -141.22 166.6 24.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.811 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -109.02 -54.82 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.58 -63.5 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -102.09 89.9 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -95.76 142.61 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.6 92.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt -78.84 124.95 28.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -121.36 155.59 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.49 171.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' LEU . 20.5 t -69.97 -176.87 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -96.72 -44.96 6.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.7 t-105 -64.41 129.69 40.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -127.78 158.37 37.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.804 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.27 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB1' ' NZ ' ' A' ' 27' ' ' LYS . . . -95.46 148.91 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.34 136.81 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -140.47 137.1 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -87.03 114.27 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.25 -22.58 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -79.04 -32.46 44.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -127.38 88.77 53.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.46 -30.31 13.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.39 150.85 11.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.048 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.09 59.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' NZ ' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -70.79 156.42 39.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -129.2 140.28 51.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -95.88 124.06 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 tp -109.37 135.11 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -121.74 104.71 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -73.14 150.08 89.76 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.03 22.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -74.73 146.53 42.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 t -100.38 160.17 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.55 -32.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.97 -74.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.51 -138.51 4.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.73 -29.11 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -16.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 t -175.08 126.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 HD11 ' CD2' ' A' ' 13' ' ' TRP . 1.2 mt -94.69 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.99 60.91 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -35.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 25.2 m-85 -54.32 132.79 44.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 3.2 m -85.36 134.52 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' CG2' ' HE3' ' A' ' 51' ' ' LYS . 17.1 mm -37.78 -50.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -43.69 -48.22 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CE2' HD12 ' A' ' 53' ' ' LEU . 12.1 t80 -42.27 -61.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.2 mt -46.92 -57.28 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HE3' ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -40.06 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.3 mt-30 -84.94 -48.14 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.3 mp -59.38 -47.78 84.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.55 -41.8 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.55 -19.96 64.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.18 -24.43 40.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -93.05 -29.46 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -98.57 25.43 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.5 -15.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.7 -33.88 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -118.35 -48.52 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.56 116.37 36.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 151.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -20.86 34.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -88.92 -29.26 19.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -85.68 12.84 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.97 167.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -135.58 167.97 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 tp -114.18 136.64 52.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -119.86 128.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -137.93 135.87 36.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.9 t 60.72 28.15 17.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.27 23.97 72.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -152.85 137.11 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -66.82 159.57 27.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -119.41 126.48 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -64.13 161.23 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -2.81 55.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.8 4.12 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -107.12 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -126.33 167.71 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.78 -47.67 64.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -67.25 -44.28 79.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.04 -43.55 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.88 -26.33 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.31 28.22 20.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.3 mt -59.47 128.97 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -93.65 151.09 39.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.81 8.77 12.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.5 m -96.15 173.08 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.8 m -124.48 140.07 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -115.33 139.3 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -106.38 135.39 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.55 138.12 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 98' ' ' ARG . 1.5 tm? -127.86 120.9 28.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.426 ' N ' HD11 ' A' ' 97' ' ' LEU . 39.5 mtm180 -68.29 134.21 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -62.33 -57.56 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.4 t 46.33 46.13 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 102' ' ' SER . 5.5 t90 -143.15 155.77 44.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 53.8 m -33.62 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.98 131.45 4.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.505 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.81 -4.91 15.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 m -41.96 152.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.3 t -115.51 42.63 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -146.96 165.33 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -144.5 170.13 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -43.23 9.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -131.31 175.81 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -60.63 163.27 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 45.75 3.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.1 mtm -130.82 102.6 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -147.08 160.39 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.89 -46.47 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASP . 24.9 p -57.61 -15.57 7.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . 1.4 m-20 32.86 51.82 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.459 ' CE3' HD11 ' A' ' 42' ' ' LEU . 2.5 t-105 -68.12 124.24 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . 12.2 p-80 -131.84 154.59 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.86 152.99 49.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.1 127.28 36.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.2 t -112.3 132.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -129.39 129.83 45.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.34 104.69 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.4 -35.76 60.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.75 -39.77 85.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 53.3 mt-30 -128.06 98.96 25.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.7 Cg_endo -69.75 -7.43 21.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.87 -30.86 12.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.31 149.63 0.94 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 143.07 49.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -67.53 141.6 56.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -122.12 112.57 18.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CG2' ' HB2' ' A' ' 14' ' ' HIS . 38.7 mm -74.48 130.83 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 31' ' ' GLN . 10.1 tp -108.92 150.78 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 40.6 mt-30 -127.42 110.53 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.2 pp -86.58 149.74 49.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 179.87 3.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 163.6 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -123.21 172.32 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.45 -40.59 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.15 -73.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.33 6.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.543 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -113.27 -41.32 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' N ' ' HG2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -36.45 -40.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -168.02 123.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD11 ' CE3' ' A' ' 13' ' ' TRP . 53.5 mt -73.9 -67.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.74 71.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.04 -26.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 10.5 m-85 -61.23 130.11 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.995 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' ILE . 2.6 m -81.21 126.58 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.5 mm -33.57 -50.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -51.52 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 53' ' ' LEU . 46.9 t80 -43.68 -52.64 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 54' ' ' ILE . 16.7 mt -60.47 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -48.6 -18.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -89.16 -46.83 8.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -60.85 -50.72 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 4.4 mp -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -55.8 -35.51 66.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.11 -25.82 67.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.71 -30.28 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.49 26.88 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -49.98 -18.92 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.05 -39.86 91.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -114.25 -41.86 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.9 t -75.06 118.53 71.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.01 151.64 45.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HA ' ' CB ' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.75 -13.05 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -93.07 -28.25 16.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.42 21.66 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -141.95 172.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -143.71 172.83 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -118.54 136.18 53.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -120.52 131.84 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 60.5 t80 -142.72 150.02 39.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.7 t 45.29 38.64 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.4 35.98 91.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.7 ptm85 -158.98 141.51 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -68.58 147.1 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 39.2 mt -106.51 116.53 32.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -78.06 161.41 27.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -78.94 -6.35 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.35 24.5 3.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 mp0 -138.27 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -123.78 167.76 13.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.59 -40.81 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.79 -53.98 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' GLN . 90.0 t80 -41.08 -40.31 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.464 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 9.9 m-85 -85.17 -31.09 23.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 94.41 45.86 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.13 144.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -130.7 160.57 65.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.447 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 80.93 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.74 -20.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -66.97 177.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.439 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -126.17 123.83 39.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.43 157.78 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -118.32 125.6 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.25 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.46 117.65 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -82.89 135.58 34.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -58.48 -55.25 37.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' TRP . 30.0 t 63.06 41.53 8.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.513 ' CG ' ' N ' ' A' ' 102' ' ' SER . 6.6 p-90 -36.92 -46.23 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 0.9 OUTLIER -170.13 172.67 6.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.07 74.07 0.3 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 149.1 66.52 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.706 2.27 . . . . 0.0 112.342 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.0 p -86.0 143.75 27.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.5 p -81.03 -49.01 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -130.81 146.46 52.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -67.28 106.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.02 88.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -162.77 155.71 19.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -169.28 126.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 97.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 mmt -141.34 125.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -132.27 -175.44 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.2 107.97 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -95.58 157.9 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -90.73 -50.65 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CD1' HD21 ' A' ' 32' ' ' LEU . 6.8 t-105 -83.12 123.24 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -127.32 153.45 46.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.39 152.83 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.14 149.77 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -130.75 132.77 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -134.29 145.96 49.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 22' ' ' GLN . 2.1 tp -95.01 126.09 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -76.31 -16.67 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -89.91 -26.17 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.465 ' N ' HD21 ' A' ' 19' ' ' LEU . 68.0 mt-30 -131.93 85.68 50.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.87 19.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.66 -26.16 15.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.51 149.26 51.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.65 36.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.13 154.97 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -129.65 134.22 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.7 131.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 tp -111.68 136.05 51.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.4 98.22 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 13' ' ' TRP . 2.9 pp -73.25 152.22 90.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.31 4.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.59 165.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.98 149.84 43.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -42.89 -32.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.53 173.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.74 -141.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.8 -27.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -43.49 166.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' LEU . 87.1 p -36.33 105.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . 29.6 mt -35.11 -45.56 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.89 71.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.91 -36.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -56.13 147.73 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -102.93 136.28 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.39 -48.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 t -39.73 -52.15 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 53' ' ' LEU . 24.8 t80 -49.39 -60.23 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -46.14 -58.59 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -42.32 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' LEU . 17.4 mt-30 -84.58 -49.92 8.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 49' ' ' PHE . 5.4 mp -55.85 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -55.94 -48.4 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -29.5 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.43 76.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -95.95 -40.82 9.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' GLU . 13.8 mt -70.49 -0.49 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -31.66 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt-20 -43.41 -51.59 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -112.38 -33.53 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.88 116.01 56.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.88 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -150.6 156.38 36.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.55 34.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -86.27 -28.17 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.74 8.54 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.91 153.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 2.1 p30 -117.61 173.29 6.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 tp -113.71 132.07 55.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.45 127.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 12.5 t80 -142.44 144.86 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 42.2 t 51.64 34.73 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.79 33.05 86.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -160.22 129.96 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -55.11 151.6 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.501 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 19.4 mt -112.42 111.15 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -63.06 163.14 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.73 2.59 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -101.3 -4.38 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -97.4 -177.97 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -138.13 164.52 28.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -51.48 -39.9 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -50.37 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -43.16 -34.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.501 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 18.4 m-85 -97.97 -28.49 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.71 48.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.5 mt -52.4 147.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -134.29 161.39 64.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.551 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.7 3.04 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.31 -3.47 19.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m -89.6 174.55 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.8 m -130.47 130.54 44.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 m -106.38 137.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -97.29 145.76 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 52.8 t -105.11 148.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 69' ' ' ASP . 1.2 tm? -123.46 135.88 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -96.53 102.01 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -49.44 158.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 m -110.07 -37.77 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.494 ' CZ2' ' HD3' ' A' ' 104' ' ' PRO . 8.5 t-105 -127.69 133.51 49.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' TRP . 59.0 m -37.08 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.8 77.92 1.35 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.494 ' HD3' ' CZ2' ' A' ' 101' ' ' TRP . 53.8 Cg_endo -69.75 160.25 50.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.1 p -95.66 140.33 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.2 m -103.56 173.66 6.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t -64.47 108.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.831 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -138.76 142.46 38.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.13 41.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -97.94 108.78 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -60.74 -45.37 94.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 144.8 -177.06 23.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -35.63 147.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 m -52.38 109.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -86.32 157.4 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -107.01 149.0 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.34 -48.58 11.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.562 ' CD1' HD22 ' A' ' 32' ' ' LEU . 3.0 t-105 -83.14 128.83 34.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -130.64 153.01 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.65 156.01 44.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.65 146.73 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.99 134.13 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -135.38 129.51 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -79.57 113.29 17.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.51 84.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.26 -35.24 79.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -125.18 91.01 49.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.3 32.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -92.62 -27.41 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.92 153.01 4.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.36 68.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.03 155.14 38.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -131.97 125.45 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.43 119.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 tp -102.99 130.33 50.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -110.56 99.77 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 13' ' ' TRP . 4.0 pp -69.85 153.23 95.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.36 27.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 174.0 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.444 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 35.2 p -114.93 138.98 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.05 -31.77 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.15 -60.02 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.06 173.69 36.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' TYR . 9.6 pt-20 -66.59 -30.71 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -36.59 154.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' TYR . 3.5 m -34.4 112.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 13' ' ' TRP . 19.9 mt -35.5 -69.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.88 81.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.73 -31.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' CG2' ' A' ' 35' ' ' THR . 13.4 m-85 -52.72 135.87 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.3 p -88.73 126.55 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.9 mm -35.69 -37.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -49.63 -53.12 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CE2' HD13 ' A' ' 53' ' ' LEU . 11.5 t80 -43.82 -62.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -47.03 -57.61 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -43.21 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.4 mt-30 -89.09 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.1 mp -52.85 -54.5 33.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -58.37 -53.3 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.17 -35.94 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -27.08 70.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -88.28 -30.76 19.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -101.36 28.81 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.55 -16.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.7 pt-20 -66.03 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.7 m -115.67 -43.02 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -76.83 119.78 78.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.193 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -150.2 149.36 26.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.66 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.88 -26.08 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.96 20.12 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -141.55 169.85 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -138.64 -179.31 5.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -125.25 137.71 54.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -120.29 132.24 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -142.83 143.77 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.5 p 49.71 25.77 1.61 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.88 59.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -147.85 132.59 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 128.45 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 7.5 mt -94.25 114.58 26.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 81' ' ' GLN . 14.8 pttt -64.45 176.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.31 9.37 38.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -105.1 -1.11 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 85' ' ' PHE . 14.9 mm-40 -102.42 172.18 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' LEU . 8.8 p -129.64 150.13 51.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.9 mm? -37.46 -40.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.91 -49.79 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 81' ' ' GLN . 5.1 t80 -41.35 -41.63 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 15.6 m-85 -89.55 -24.39 21.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.03 23.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.9 130.23 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -106.3 154.69 39.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.487 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.75 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.57 -13.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.5 p -71.26 -175.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -127.06 132.46 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.7 128.04 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.93 133.1 35.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -97.38 130.64 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.13 119.44 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -84.07 142.62 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -74.14 124.02 25.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.1 m -89.22 97.57 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 104' ' ' PRO . 33.0 t90 -165.8 161.62 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 5.7 t -53.33 177.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.88 113.32 3.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 101' ' ' TRP . 54.0 Cg_endo -69.75 -15.31 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 104' ' ' PRO . 19.1 m -34.62 112.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.6 t -75.58 158.74 32.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -62.84 126.09 26.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 p -114.14 133.0 55.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 128.96 9.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -87.81 144.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -104.74 -50.61 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 111.89 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttp -87.86 158.58 18.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -48.51 173.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -102.6 145.93 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 t -115.28 150.87 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -84.71 -44.56 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.0 t-105 -73.38 126.72 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -129.31 164.81 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -150.56 157.09 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.97 153.0 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.09 137.73 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -139.19 149.28 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 22' ' ' GLN . 13.5 tp -97.28 114.8 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.84 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.45 -25.22 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.447 ' HG3' ' CD2' ' A' ' 19' ' ' LEU . 30.3 mt-30 -134.07 87.17 35.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.27 15.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.16 -25.12 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 148.7 7.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 111.076 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.05 7.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -43.44 148.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -124.02 135.23 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mm -100.71 130.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 tp -114.15 148.56 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.38 102.5 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 13' ' ' TRP . 2.7 pp -69.93 152.31 95.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 118.21 5.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 163.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 t -130.5 159.61 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -56.91 -16.46 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.2 mm? -71.55 -74.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.22 170.01 21.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -75.81 -41.89 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -35.48 -39.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.1 p -169.04 163.78 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLY . 23.4 mt -121.52 -55.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.81 76.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.0 -26.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.51 136.67 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ILE . 51.5 m -91.98 126.96 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . 40.0 mm -34.73 -49.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -39.87 -58.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 53' ' ' LEU . 16.6 t80 -44.05 -55.22 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.76 -51.6 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -53.22 -15.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -90.73 -47.57 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 49' ' ' PHE . 4.7 mp -56.88 -58.11 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -59.41 -42.26 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -23.49 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.47 -18.89 54.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -93.23 -34.68 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.08 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.36 -19.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.26 -35.72 74.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -119.95 -40.38 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -76.54 117.62 65.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.21 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.42 156.15 39.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.69 35.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.08 -26.39 22.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.2 18.71 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.22 166.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -135.75 156.31 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -106.31 132.71 52.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.96 129.28 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -141.61 135.02 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.9 t 64.16 30.11 13.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.59 77.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.11 140.43 30.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -69.92 148.55 48.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.69 136.55 47.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -92.93 161.08 14.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -76.3 -7.63 55.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.14 -1.44 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.517 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 18.6 mm-40 -108.37 176.82 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -138.19 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.3 mm? -62.1 -39.23 91.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -39.38 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 11.0 t80 -48.59 -42.71 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.76 -32.69 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.07 23.11 13.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.36 132.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -100.7 152.18 37.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.554 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 2.18 3.78 Favored 'Trans proline' 0 C--O 1.23 0.116 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.22 5.4 23.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.11 -174.74 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.43 . . . . 0.0 110.85 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 m -134.76 136.19 42.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.67 148.14 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -109.72 149.07 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.76 124.45 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.71 123.96 49.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -73.12 130.07 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -62.04 99.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -74.8 90.88 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 102' ' ' SER . 5.8 t90 -147.55 155.86 42.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 32.4 m -33.04 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.6 130.17 4.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.525 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 54.1 Cg_endo -69.74 108.46 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 t -114.48 126.17 54.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 t -85.02 105.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -113.48 100.12 8.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -83.96 146.4 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -164.0 46.06 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 28.1 p -38.36 156.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.851 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -77.17 -50.77 12.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.26 56.72 6.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 mtp -117.6 109.25 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -113.31 131.05 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -93.98 69.48 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m -130.19 142.17 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -80.74 -43.08 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.477 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 1.7 t-105 -60.77 125.84 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -128.22 164.43 22.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.14 160.0 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.36 154.08 20.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.65 154.3 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -148.91 130.96 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -80.86 98.94 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.7 -34.13 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.15 -36.82 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -125.5 93.77 44.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.68 37.16 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.32 -27.43 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.85 146.14 95.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.52 21.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -86.35 142.69 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 m -119.99 131.68 55.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 30' ' ' LEU . 46.3 mm -89.19 137.35 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' N ' HG23 ' A' ' 29' ' ' ILE . 5.6 tp -124.87 132.76 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -112.63 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -79.34 153.08 76.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -173.88 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 159.16 7.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -112.77 157.15 21.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.3 OUTLIER -61.13 -49.05 78.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 35' ' ' THR . 4.0 mm? -75.86 -74.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.41 -153.93 9.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 12.1 pt-20 -102.31 -36.09 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -21.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' GLU . 3.4 m -175.21 155.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 6.2 mt -111.86 -63.11 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.4 70.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.65 -30.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CD2' HD11 ' A' ' 42' ' ' LEU . 16.9 m-85 -53.17 128.73 28.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.354 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ILE . 4.0 m -89.31 127.46 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' SER . 47.2 mm -33.91 -49.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -44.96 -49.76 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 53' ' ' LEU . 37.1 t80 -42.1 -64.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLN . 30.8 mt -48.92 -55.49 11.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -43.76 -22.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.7 mt-30 -86.75 -48.23 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.2 mp -58.92 -57.18 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mp -52.9 -45.63 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.87 81.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.95 79.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -96.91 -33.63 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.1 mt -97.56 28.32 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.05 -16.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -35.26 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 m -115.31 -43.8 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.8 t -75.51 122.81 87.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -154.9 153.63 27.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.75 25.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.18 -27.48 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' HG2' ' A' ' 99' ' ' LYS . 52.3 mt -87.8 19.9 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.05 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.11 174.02 8.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -119.8 139.54 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.8 mm -126.13 134.54 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 73' ' ' CYS . 73.1 t80 -143.02 150.47 39.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 2.3 t 42.28 38.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.64 35.67 92.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -159.48 136.14 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 tmmm? -67.66 148.41 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 10.8 mt -112.87 122.11 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 163.31 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.46 -21.71 48.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.34 -12.82 58.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -84.54 167.14 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -127.67 178.48 6.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.48 -44.88 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' PHE . 11.0 t70 -67.63 -51.8 45.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ASP . 26.6 t80 -36.08 -41.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 32.6 m-85 -94.01 -30.1 14.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.14 30.39 11.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.92 152.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.53 155.3 50.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 27.92 5.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 m -110.92 169.41 8.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 m -120.26 120.52 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.7 141.57 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -104.25 154.23 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.85 134.67 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -125.09 119.06 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.449 ' N ' HD11 ' A' ' 97' ' ' LEU . 38.7 mtt180 -54.13 156.16 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 67' ' ' LEU . 8.0 mmpt? -46.64 137.98 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.7 t -69.37 -52.83 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -49.88 151.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.23 -63.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 154.23 -59.84 0.39 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.8 Cg_endo -69.77 86.56 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -42.48 124.04 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -118.78 91.28 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.482 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -105.43 42.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -89.76 -55.8 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.95 158.07 8.69 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -143.72 124.08 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -126.07 120.79 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.08 110.37 3.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 mtt -79.22 150.36 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -121.4 149.34 43.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -29.51 63.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 p -119.55 99.86 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -88.03 25.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 5.1 t-105 -60.84 116.77 4.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -131.83 149.5 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.09 159.21 42.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.24 150.55 21.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.28 124.94 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -126.99 139.81 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 22' ' ' GLN . 9.7 tp -88.39 123.2 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -73.65 -22.48 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.03 -32.25 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 57.6 mt-30 -127.8 90.08 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.97 -29.65 14.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.54 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.17 53.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -63.42 148.21 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -121.39 117.3 26.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.09 128.26 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 tp -112.78 141.42 46.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -130.69 107.07 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -69.84 151.87 96.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.24 54.14 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 35' ' ' THR . 22.6 tt0 -58.72 147.04 34.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -104.99 154.15 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 35' ' ' THR . 7.9 pt-20 -64.95 -43.29 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' HG22 ' A' ' 35' ' ' THR . 2.5 mm? -52.09 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.59 -122.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -128.21 -30.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -38.98 158.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 42.9 t -35.98 111.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' SER . 42.1 mt -35.21 -61.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.8 41.96 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -33.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.428 ' CE1' ' OG1' ' A' ' 35' ' ' THR . 22.7 m-85 -53.32 139.9 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.955 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -91.43 131.63 36.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -39.59 -43.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -47.33 -51.24 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 53' ' ' LEU . 13.0 t80 -42.54 -65.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLN . 27.2 mt -46.77 -55.92 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -43.88 -22.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.4 mt-30 -89.61 -45.78 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -59.71 -44.51 93.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 HG22 ' CG2' ' A' ' 96' ' ' VAL . 4.0 mp -64.37 -52.83 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.94 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.89 -28.88 53.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -87.87 -34.88 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.334 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -97.1 25.89 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -51.91 -16.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.02 -33.36 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -114.05 -42.83 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.7 t -84.38 118.78 71.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.02 149.96 51.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -20.77 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -84.38 -26.25 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.1 mt -86.94 10.7 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 pt -129.55 177.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 1.3 p30 -150.76 153.37 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.7 tp -100.47 129.73 46.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.0 mm -113.37 124.46 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t80 -138.52 150.51 46.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 6.0 t 48.82 30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.44 71.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -154.82 137.24 14.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -61.77 152.04 32.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 23.1 mt -113.44 114.26 26.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -64.23 155.81 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -86.6 27.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -126.2 7.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -115.6 -177.74 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.537 ' OG1' ' CD1' ' A' ' 85' ' ' PHE . 67.6 p -130.16 172.16 12.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.67 -36.66 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.46 -43.04 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 3.6 m-30 -43.5 -54.41 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 79.3 m-85 -85.39 -28.49 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.83 18.08 26.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.42 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.0 mt -60.16 132.25 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -119.53 159.26 46.71 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.586 0.707 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.487 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 90.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.73 -16.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -69.82 -176.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 m -134.88 116.74 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -102.16 156.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -115.82 131.8 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.445 ' CG2' HG22 ' A' ' 54' ' ' ILE . 71.9 t -84.96 145.68 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.421 ' HB3' ' CG ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -128.59 140.88 51.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -104.3 97.88 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -39.94 137.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 m -111.87 96.17 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -149.4 146.28 27.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 m -41.34 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.75 83.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.2 m -48.08 -49.91 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.5 p -123.14 131.93 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -80.73 172.36 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -122.25 -49.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.57 110.09 3.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.433 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -86.26 145.35 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -103.09 113.04 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.24 134.4 12.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.9 mtt -99.24 107.36 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -150.81 141.2 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 74.6 mt -146.46 144.56 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -83.74 165.39 18.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -45.65 7.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.526 ' CH2' ' HD3' ' A' ' 90' ' ' PRO . 9.2 t-105 -75.39 120.99 21.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -131.0 158.89 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 7.6 tp -145.89 153.68 41.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.29 152.74 18.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -139.51 135.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -132.02 143.37 50.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HG ' ' CG ' ' A' ' 21' ' ' ASP . 7.9 tp -85.58 113.87 22.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -67.1 -27.52 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -81.64 -29.05 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -124.86 88.81 53.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.22 15.69 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.83 -30.69 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 154.13 3.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.33 27.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -85.26 150.51 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -122.52 115.56 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.69 114.18 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 tp -105.17 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -127.74 103.26 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -63.99 152.01 88.39 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.733 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.08 22.59 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -60.49 163.4 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -113.75 169.47 8.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 6.9 pt-20 -87.78 -24.01 23.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 4.2 mm? -90.84 92.4 8.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.35 -162.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.44 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -114.48 -17.05 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -61.36 -175.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' TYR . 48.6 m -37.13 114.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 45' ' ' TYR . 12.5 mt -55.86 -59.74 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.68 68.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.88 -28.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -53.79 142.87 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ILE . 84.4 p -95.58 126.72 41.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.3 mm -35.5 -49.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -39.73 -55.0 2.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 53' ' ' LEU . 20.4 t80 -42.04 -66.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.9 mt -45.66 -57.18 4.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -40.85 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.9 mt-30 -86.83 -44.27 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -62.78 -50.85 69.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -59.47 -49.38 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.84 -29.93 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -27.19 71.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -87.61 -38.51 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.1 mt -74.59 0.48 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -31.82 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' LEU . 15.3 pt-20 -41.22 -50.81 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 2.0 m -116.34 -32.24 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.72 112.16 24.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.64 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.2 153.86 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.537 0.684 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -21.48 33.54 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.61 -28.29 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.96 -179.39 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -147.53 161.26 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 tp -116.38 128.22 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.5 133.85 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 23.0 t80 -143.17 150.93 40.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 35.5 t 45.29 38.57 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.59 80.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 9.5 ptp180 -155.1 140.85 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.85 140.66 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.1 mt -100.29 113.75 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.42 157.88 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -28.29 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.1 -20.07 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -85.65 171.78 11.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.2 p -132.5 169.96 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -57.71 -35.94 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.49 -47.02 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -40.63 -47.44 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.459 ' CE1' ' HD2' ' A' ' 75' ' ' ARG . 46.1 m-85 -88.63 -34.3 17.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.89 16.71 18.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.95 146.52 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 mt-30 -132.36 161.68 61.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.526 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.37 11.8 14.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 m -103.2 173.51 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.41 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -129.61 133.63 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -107.76 166.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.58 132.31 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 58' ' ' LEU . 53.5 t -94.03 141.86 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -126.41 122.04 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.464 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.6 mtt85 -70.83 123.52 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.82 165.13 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 p -97.62 44.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.459 ' NE1' ' HB2' ' A' ' 102' ' ' SER . 1.6 p90 -56.67 -41.61 77.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.459 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 5.8 m -158.84 174.25 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -106.04 90.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 96.65 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 t -59.64 119.94 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.7 t -119.36 158.88 25.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -90.48 96.77 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.813 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -49.26 137.25 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.7 113.82 1.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -87.66 -55.07 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -79.2 144.16 34.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.19 153.61 52.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.431 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 mtm -73.58 110.84 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -79.05 156.0 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.47 127.6 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -144.57 -175.14 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.71 -56.11 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.535 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 11.0 t-105 -63.24 118.99 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -128.87 131.63 47.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 11.2 tp -123.28 157.81 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 153.48 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.22 121.94 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -117.69 157.62 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.5 tp -106.24 103.57 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.98 69.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -67.68 -29.57 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -133.9 88.43 32.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -8.19 22.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.54 -28.81 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 160.2 9.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 111.099 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 172.6 12.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -96.85 155.4 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -127.78 143.25 51.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -106.68 133.88 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.9 tp -119.8 144.96 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -122.15 102.16 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -71.53 151.45 93.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.58 52.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.95 173.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 t -144.49 160.05 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -40.42 -36.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' N ' HD21 ' A' ' 37' ' ' LEU . 1.2 mm? -101.39 -178.63 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.0 160.98 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.55 79.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -38.38 -35.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -155.77 122.38 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 13' ' ' TRP . 22.0 mt -91.46 -66.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.58 58.64 2.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.84 -31.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 29.6 m-85 -60.97 141.34 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.967 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.3 m -92.66 129.13 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 24.2 mm -34.25 -51.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -45.17 -48.03 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 35.4 t80 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.32 -53.63 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -43.64 -23.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -84.7 -50.72 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.5 mp -56.8 -51.47 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.27 69.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.64 -19.17 72.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -99.02 -36.69 9.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 60' ' ' GLU . 36.2 mt -74.0 2.2 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -32.54 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.3 pp20? -44.39 -50.95 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -115.13 -34.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.5 112.19 26.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -142.65 154.48 62.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.96 32.89 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -85.8 -25.23 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.38 19.17 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -143.56 177.85 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -139.29 -175.9 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -136.17 130.03 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 23.1 mm -121.59 131.31 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.483 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 3.7 t80 -142.76 129.95 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.2 t 69.36 30.87 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.21 31.86 68.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.2 ptm85 -160.47 144.01 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 9.0 ttmt -71.03 157.57 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 5.3 mt -118.24 125.46 50.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 165.35 25.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 16.4 p-10 -88.68 21.64 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.42 8.19 10.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 6.0 mm-40 -115.9 168.78 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 p -119.95 170.03 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -56.39 -41.46 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.77 -37.34 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 5.2 t80 -51.98 -46.22 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 13.8 m-85 -84.41 -32.22 24.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.43 21.47 9.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.8 mt -66.15 146.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt-30 -131.09 161.61 60.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.4 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.74 3.3 2.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.98 20.37 6.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 m -134.84 134.39 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -113.3 132.04 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.25 120.59 33.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.19 131.43 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 118.06 27.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -88.66 138.22 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -69.79 92.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -72.29 104.09 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.632 ' CG ' ' N ' ' A' ' 102' ' ' SER . 1.6 p90 -85.19 -52.84 5.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.632 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 5.7 t -150.35 -177.34 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.92 88.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.6 p -39.36 120.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.2 t -44.35 -48.69 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m 52.41 42.18 31.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.876 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -80.41 161.72 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.15 47.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -112.29 121.42 44.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -102.36 158.98 15.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 56.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 ttm -100.27 90.61 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -149.21 139.17 22.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.29 112.83 23.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -87.9 162.0 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -89.34 -44.25 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.3 t-105 -81.24 121.13 25.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.48 134.0 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 tp -119.53 155.37 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.61 138.37 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 18' ' ' LYS . 68.5 t -124.36 146.26 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 17' ' ' VAL . 21.6 mmmt -147.28 130.99 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 tp -78.45 106.05 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.95 -37.44 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -122.66 95.37 46.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -11.6 31.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.46 -35.38 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.91 148.53 3.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -86.71 146.29 26.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -122.13 107.48 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -73.89 123.52 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.91 144.81 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.56 99.77 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.5 152.67 91.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 173.83 10.36 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.59 157.23 23.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 t -125.91 169.46 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 37' ' ' LEU . 9.9 pt-20 -56.29 -41.72 76.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 2.5 mm? -61.82 -51.69 67.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.37 -146.67 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.16 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -56.23 -13.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -174.89 119.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.4 mt -91.3 -60.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.13 71.01 0.14 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.11 -28.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 13.0 m-85 -64.39 124.31 21.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' ILE . 49.6 p -81.39 128.05 33.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.6 mm -34.12 -44.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 79' ' ' ASP . 33.7 t -47.47 -51.86 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 46.0 t80 -46.07 -65.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LEU . 16.8 mt -44.12 -58.18 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -38.41 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 28.4 mt-30 -81.68 -41.57 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 5.2 mp -65.43 -56.19 13.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mp -56.49 -52.49 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.0 -30.82 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.68 -22.76 78.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -94.16 -37.27 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.5 mt -74.41 2.59 9.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -32.73 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.8 pp20? -38.79 -47.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 2.9 m -121.1 -29.28 4.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 68' ' ' ILE . 95.6 t -79.08 111.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -145.07 153.28 53.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.0 37.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -86.76 -29.87 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.76 22.8 2.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.426 ' CG2' HG13 ' A' ' 62' ' ' VAL . 2.8 pp -142.81 176.99 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.12 172.83 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.17 133.51 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.9 mm -124.6 135.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.492 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 63.8 t80 -143.0 139.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.492 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 52.08 35.87 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.83 20.97 72.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 31.3 ptt180 -141.91 133.68 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 140.47 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.4 mt -101.63 127.61 48.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -84.42 159.53 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 97.6 m-20 -71.18 -21.63 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.67 -18.4 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 3.6 mp0 -92.4 178.07 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.5 p -140.77 -175.18 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.7 mm? -62.75 -51.98 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' PHE . 9.6 t70 -67.55 -43.39 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.483 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -36.94 -45.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 81' ' ' GLN . 60.4 m-85 -94.19 -35.19 12.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.95 34.36 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -71.28 147.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -122.46 154.02 62.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.73 89.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.26 -22.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.7 p -63.82 -179.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 m -132.65 124.48 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.92 156.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 97' ' ' LEU . 39.0 t -98.87 133.83 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' N ' HG11 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -117.2 117.6 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -72.92 124.74 26.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -59.16 152.69 19.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.3 t -86.52 119.01 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -129.84 150.52 51.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -48.21 -58.84 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 155.63 -59.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.4 Cg_endo -69.77 80.05 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.7 m -70.87 -55.08 9.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t 56.92 41.88 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -40.07 -46.64 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 44.58 42.2 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.76 -125.78 2.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -63.52 138.27 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -152.33 131.12 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.55 85.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -155.93 134.91 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -111.4 21.05 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.0 175.23 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -61.82 140.36 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.36 86.98 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CD1' HD23 ' A' ' 32' ' ' LEU . 6.9 t-105 -65.14 114.54 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -131.68 149.42 52.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -133.07 159.69 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.03 143.64 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' HD12 ' A' ' 58' ' ' LEU . 90.0 t -122.27 132.36 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -133.17 140.2 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 tp -91.49 106.37 18.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.61 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.89 -28.11 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -128.87 88.48 51.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.38 18.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.49 -30.6 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.17 148.59 2.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.5 17.69 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -59.21 139.82 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -118.94 138.24 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.2 135.02 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 tp -106.72 146.7 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -129.36 107.93 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -79.22 150.78 74.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -174.22 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.45 -176.0 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 5.2 t -151.39 -177.95 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 35' ' ' THR . 5.7 pm0 -52.5 -23.56 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.51 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.72 -175.41 41.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' TYR . 4.8 pt-20 -83.36 -44.55 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' SER . 1.6 p90 -33.91 -50.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' TYR . 4.4 t -124.72 104.45 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLY . 10.1 mt -87.15 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.2 59.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.27 -28.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.03 130.41 45.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.2 m -86.39 129.13 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' SER . 36.2 mm -36.22 -48.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -39.51 -53.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.507 ' CE1' HD11 ' A' ' 53' ' ' LEU . 26.9 t80 -47.16 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.3 mt -46.22 -56.25 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -41.46 -24.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' LEU . 18.2 mt-30 -88.38 -47.13 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 49' ' ' PHE . 4.9 mp -53.66 -49.03 68.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.1 -55.45 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.67 -33.95 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -28.94 66.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -85.13 -26.18 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 HD12 ' CG1' ' A' ' 17' ' ' VAL . 25.3 mt -102.75 24.97 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.06 -15.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.28 -35.72 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -119.26 -43.61 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -72.21 120.69 81.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -152.4 152.09 28.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -15.41 36.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.5 -29.62 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -87.36 14.55 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.03 167.46 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -131.46 164.79 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 tp -112.35 141.02 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.0 mm -129.77 131.6 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.553 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 80.6 t80 -139.71 145.9 38.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 50.22 28.45 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.43 26.76 69.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -149.95 134.05 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 148.88 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -111.91 124.55 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -78.11 159.13 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.56 0.5 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.99 -9.44 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.5 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 1.4 mp0 -101.58 173.35 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.8 p -131.64 -175.2 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.64 -52.51 64.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' GLY . 5.4 t70 -57.72 -56.38 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 10.2 t80 -34.45 -48.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -88.83 -25.98 21.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 83.36 25.48 47.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mt -52.78 138.98 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -107.16 153.5 41.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.27 25.43 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.4 p -105.35 179.46 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.981 0.42 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.3 m -134.23 140.23 46.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -118.0 162.8 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -123.79 147.87 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.73 126.41 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.68 119.84 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtm105 -73.5 141.06 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -72.89 159.22 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.4 t -97.75 84.63 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' SER . 9.2 t-105 -147.13 139.71 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' TRP . 54.7 m -34.87 -69.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.09 84.17 1.29 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 177.65 5.4 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 p -120.27 132.24 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.0 p -69.68 98.43 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -134.18 159.52 40.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -150.6 162.92 39.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.76 122.71 10.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -93.42 101.87 14.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -70.88 141.75 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.36 49.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.2 mmt -97.47 152.36 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 152.76 22.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.33 137.28 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 t -70.7 169.37 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.68 -46.93 5.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.519 ' CD2' ' HB3' ' A' ' 90' ' ' PRO . 4.7 t-105 -57.2 121.16 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -129.67 149.88 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -135.73 156.1 49.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.59 149.69 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.05 129.16 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -130.63 136.32 48.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.98 116.02 22.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.57 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -123.23 92.17 49.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -6.96 19.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -98.74 -34.17 10.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.78 154.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.91 68.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -76.31 142.77 41.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -118.76 126.96 53.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.95 128.08 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 8.8 tp -109.86 145.47 36.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -133.74 112.65 11.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.25 154.81 76.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' PRO . 12.0 pt-20 -34.42 123.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.459 ' CG2' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.48 155.33 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.04 -38.94 18.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -134.9 94.1 3.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 41.19 -158.38 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 40' ' ' TYR . 9.0 pt-20 -108.57 -33.38 7.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -32.92 -37.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.6 p -176.2 151.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 3.1 mt -89.85 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 32.61 76.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.12 -31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.04 122.4 14.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -82.46 135.07 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -44.67 -46.26 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -43.73 -41.3 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 53' ' ' LEU . 21.8 t80 -51.23 -61.14 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' GLN . 15.4 mt -50.5 -52.79 35.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -44.05 -22.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 50' ' ' LEU . 26.1 mt-30 -88.71 -53.15 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -57.02 -40.69 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -64.75 -55.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.09 -28.77 41.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' O ' ' NE2' ' A' ' 59' ' ' GLN . . . -80.08 -25.67 57.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 17.0 mmmt -88.03 -38.04 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.81 24.5 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 20.2 mt-30 -49.92 -18.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -64.38 -34.26 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -117.67 -44.65 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.44 118.13 69.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.36 154.58 36.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -20.76 34.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -85.21 -28.21 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.48 20.83 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -142.72 167.91 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.45 161.5 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 tp -113.38 125.88 54.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mm -114.64 129.93 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.498 ' CZ ' HG12 ' A' ' 88' ' ' ILE . 52.9 t80 -140.62 141.38 35.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 4.7 t 54.33 25.82 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.68 26.15 61.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -153.22 136.56 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.07 132.07 47.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 76' ' ' LYS . 15.8 mt -92.34 119.27 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -66.35 159.75 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.86 28.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -122.41 -26.09 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 85' ' ' PHE . 6.2 mp0 -85.4 177.5 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 p -128.57 173.56 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -54.05 -53.5 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.28 -34.7 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 81' ' ' GLN . 8.4 t80 -52.18 -45.36 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -90.22 -22.64 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.69 29.45 23.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.498 HG12 ' CZ ' ' A' ' 72' ' ' TYR . 37.1 mt -65.48 155.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 21.2 mp0 -122.72 149.5 56.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.709 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.519 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.76 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.54 -11.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 p -66.02 -178.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -131.3 116.27 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -101.62 131.3 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.8 141.65 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.7 t -100.95 137.7 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -132.91 124.63 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.449 ' N ' HD13 ' A' ' 97' ' ' LEU . 11.3 mtp-105 -72.17 155.87 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -74.6 -55.29 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' TRP . 15.2 t -158.5 109.6 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' SER . 16.3 t-105 -35.25 149.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -64.52 179.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.14 86.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -29.38 23.77 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.9 m -53.95 -45.69 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -93.75 44.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -76.93 -50.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -163.73 110.35 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.99 -155.07 12.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -147.47 157.91 43.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -128.82 170.1 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.16 -167.79 25.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 mtt -123.58 94.5 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -85.13 151.03 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.15 -43.47 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . 50.4 m 43.57 24.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . 24.8 t70 -36.24 -35.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.544 ' CD1' HD23 ' A' ' 32' ' ' LEU . 5.2 t-105 -88.0 121.12 30.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -129.84 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.07 153.94 46.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . . . -100.14 140.25 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.45 125.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -120.34 138.68 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 tp -91.04 102.29 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -39.41 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.07 -37.29 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -119.69 93.67 47.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.73 24.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -98.94 -34.59 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.66 151.91 0.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.72 13.96 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CD ' HD11 ' A' ' 29' ' ' ILE . 16.3 ttmt -84.63 152.21 23.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.07 106.88 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 HD11 ' CD ' ' A' ' 27' ' ' LYS . 24.7 mm -78.75 120.92 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 11.8 tp -104.1 141.87 35.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -122.15 96.48 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -63.32 151.66 86.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.76 33.35 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.29 162.12 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -131.3 146.05 52.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.37 -39.15 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.2 mm? -40.84 -53.46 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.0 -166.16 29.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' TYR . 3.0 pp20? -94.4 -37.6 11.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -39.62 160.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' TYR . 21.2 t -33.43 103.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 45' ' ' TYR . 41.6 mt -38.85 -65.31 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.41 74.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.37 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD2' HD12 ' A' ' 42' ' ' LEU . 21.1 m-85 -49.07 138.97 11.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' ILE . 22.5 p -89.53 126.53 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.7 mm -36.78 -43.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 p -49.28 -48.03 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 36.2 t80 -47.16 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' LEU . 17.7 mt -43.48 -60.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 79.3 mttt -36.31 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.3 mt-30 -79.11 -44.8 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 5.0 mp -61.99 -51.62 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -57.47 -56.85 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.62 -37.66 28.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -31.85 64.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 10.8 mmtp -81.97 -30.15 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.27 26.03 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.7 -18.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.7 pt-20 -62.29 -39.9 94.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.4 m -113.86 -43.26 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.2 t -70.59 119.09 70.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.54 151.37 28.64 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -17.97 37.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -87.04 -30.85 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.69 27.07 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.74 171.27 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.69 170.88 14.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -116.46 133.19 56.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . 41.7 mm -122.5 129.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.467 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 33.5 t80 -142.85 140.6 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 8.3 t 55.22 37.96 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.02 31.91 82.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -158.01 135.07 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 13.2 ttpp -69.6 147.85 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 9.5 mt -110.71 127.02 55.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' CD ' ' HG2' ' A' ' 81' ' ' GLN . 3.4 ptpt -61.56 174.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.11 13.94 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.34 -9.89 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' CG ' ' A' ' 85' ' ' PHE . 15.0 mm-40 -88.11 -178.08 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.0 p -128.77 164.27 23.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.92 -37.2 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' PHE . 18.0 t70 -71.12 -51.14 26.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 32.4 t80 -34.02 -56.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 48.8 m-85 -76.82 -30.97 56.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 96.71 37.71 4.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -81.82 133.03 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.52 155.07 44.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.507 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.8 -24.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -65.3 -175.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -131.95 118.42 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.8 m -100.66 144.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -101.85 146.64 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 97' ' ' LEU . 47.8 t -113.12 136.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 96' ' ' VAL . 1.5 tm? -128.05 121.33 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -70.01 121.02 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -50.1 155.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' TRP . 21.7 t -80.05 45.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 104' ' ' PRO . 3.0 t90 -36.85 -65.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.428 ' HB2' ' CE2' ' A' ' 101' ' ' TRP . 1.8 m -174.33 178.51 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -121.46 88.87 0.42 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 101' ' ' TRP . 53.0 Cg_endo -69.8 2.36 3.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -88.03 -48.49 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -125.43 109.36 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -102.93 -46.02 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -50.31 171.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.02 177.67 48.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.79 145.13 47.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -153.31 170.51 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.29 45.77 3.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -110.46 156.06 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -81.57 119.46 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.5 mt -128.81 150.8 50.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.3 p -112.68 115.05 27.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.46 41.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 t-105 -77.86 124.12 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -127.44 160.21 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -145.25 159.52 42.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.84 147.03 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.34 123.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' CG ' HG22 ' A' ' 93' ' ' THR . 17.2 mmmt -120.43 151.53 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 tp -99.81 106.54 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.53 -39.19 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.64 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -126.36 92.44 45.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.18 25.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -96.53 -33.33 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 149.97 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.143 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.6 67.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.41 140.47 46.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.72 159.08 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.15 123.29 68.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 tp -108.52 125.97 52.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -113.89 94.67 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -64.25 152.44 88.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 155.32 65.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -54.49 170.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 1.6 t -136.4 175.61 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.1 pt-20 -80.42 -18.14 49.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.82 175.8 9.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -135.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.44 -29.11 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -47.28 172.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' LEU . 72.8 m -37.52 104.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 46.2 mt -36.03 -52.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.43 68.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.11 -31.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -58.98 141.57 53.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.7 m -92.99 127.77 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.6 mm -36.15 -49.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -42.2 -52.07 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE2' HD12 ' A' ' 53' ' ' LEU . 14.7 t80 -41.8 -65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.6 mt -46.2 -57.43 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.22 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' LEU . 24.9 mt-30 -88.26 -49.64 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -59.6 -38.77 82.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.57 -56.29 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.43 -31.78 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.19 -31.63 46.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -80.52 -28.13 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.67 29.39 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -51.28 -16.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.49 -33.48 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -113.11 -51.79 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG1' HG12 ' A' ' 68' ' ' ILE . 2.9 t -87.74 114.27 58.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -142.06 151.19 58.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -24.63 29.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -77.84 -26.52 49.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.06 18.23 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG12 ' CG1' ' A' ' 62' ' ' VAL . 2.4 pp -144.93 172.0 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -136.34 152.59 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -103.85 126.45 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.94 132.93 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 81.7 t80 -141.84 138.04 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.463 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 3.9 m 56.94 25.14 10.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 16.57 78.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -140.45 130.26 24.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -62.01 141.85 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -103.26 129.47 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -96.47 161.42 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.68 5.8 10.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -90.95 -17.41 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.56 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 3.9 mp0 -109.69 -177.5 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -131.55 -179.5 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.84 -46.03 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -45.21 79.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 81' ' ' GLN . 21.9 t80 -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -92.91 -21.83 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.92 36.51 11.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 22.1 mt -69.91 151.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 24.1 mp0 -119.57 151.28 51.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.3 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.58 7.23 13.83 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.89 -178.66 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.4 HG22 ' CG ' ' A' ' 18' ' ' LYS . 2.4 m -134.96 134.86 40.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -104.33 168.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.18 131.48 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 t -97.39 125.17 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 126.55 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 5.3 mmm180 -77.53 131.65 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.01 -67.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -147.21 156.79 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 102' ' ' SER . 7.1 t90 -75.36 157.3 34.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.51 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 69.6 m -37.91 156.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.72 110.44 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m 71.78 45.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -90.83 106.27 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.1 t-105 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -129.06 158.98 37.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.58 152.3 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -99.4 141.87 31.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 58' ' ' LEU . 80.7 t -125.49 124.88 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.64 136.4 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HG3' ' A' ' 22' ' ' GLN . 14.8 tp -82.3 108.64 15.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -57.7 -35.75 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -67.57 -25.46 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' HG3' HD23 ' A' ' 19' ' ' LEU . 36.4 mt-30 -134.09 88.1 32.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.8 Cg_endo -69.81 -7.82 22.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -93.75 -28.71 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 148.56 60.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.87 41.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' NZ ' HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -68.58 139.55 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -106.14 156.9 17.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.946 HG22 ' OE1' ' A' ' 31' ' ' GLN . 47.4 mm -106.24 120.39 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 53' ' ' LEU . 7.6 tp -105.55 116.79 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.946 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.1 mp0 -102.85 102.37 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.1 pp -71.19 152.85 94.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 45' ' ' TYR . 55.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 43.86 56.76 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -30.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.6 m-85 -53.38 155.79 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.1 m -114.49 129.8 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.4 mm -36.64 -53.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ILE . 6.2 t -34.58 -51.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.3 t80 -50.6 -58.19 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 54' ' ' ILE . 12.9 mt -49.83 -52.11 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -45.95 -22.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.56 -54.46 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.76 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -50.07 -55.33 15.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 HD22 ' A' ' 50' ' ' LEU . 3.5 mp -57.94 -50.21 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 -23.31 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.17 -25.59 51.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -90.49 -35.49 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD11 ' CG1' ' A' ' 17' ' ' VAL . 15.2 mt -91.02 21.82 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -50.25 -17.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.62 -36.02 82.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -116.04 -44.53 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 68' ' ' ILE . 43.9 t -73.46 121.59 85.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.28 155.63 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.56 34.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.84 -29.68 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.38 19.27 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -139.59 -175.39 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -154.73 170.4 21.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.7 tp -117.26 134.71 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 12.6 mm -119.67 128.24 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.737 ' HB3' HD21 ' A' ' 77' ' ' LEU . 70.9 t80 -137.26 140.6 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 32.2 t 58.24 27.18 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.43 16.41 80.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -142.46 138.94 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -62.37 157.42 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.9 mt -119.07 120.4 37.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.62 164.98 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.24 6.72 28.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -110.26 10.65 23.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.49 173.54 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -129.73 163.33 26.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -59.87 -35.23 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.78 -32.77 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.1 -45.99 86.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -84.01 -30.95 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.99 16.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.53 144.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -130.09 158.75 73.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.54 -22.07 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -67.93 -179.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.6 m -134.58 126.31 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 70' ' ' LEU . 17.7 m -102.23 166.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.06 135.98 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.3 t -91.93 135.9 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -128.9 129.04 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.632 ' N ' HD13 ' A' ' 97' ' ' LEU . 45.7 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 3.2 t-105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -130.75 159.15 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -143.01 155.97 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 92' ' ' SER . . . -102.93 150.08 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -139.63 141.92 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -136.62 125.16 23.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.809 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.7 tp -68.38 109.28 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -54.3 -37.85 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.8 -24.55 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.809 ' HG3' HD23 ' A' ' 19' ' ' LEU . 12.0 mt-30 -132.85 84.85 48.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.81 14.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.13 -27.01 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.0 154.14 2.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.49 16.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 24.2 ttpt -44.68 140.57 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -79.26 128.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 54' ' ' ILE . 14.3 tp -109.28 150.56 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -130.62 102.7 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 2.8 pp -71.9 152.19 93.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.647 2.232 . . . . 0.0 112.388 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 32.1 mt . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.27 60.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.55 -31.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -55.88 136.13 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.7 m -96.48 131.93 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.8 mm -34.49 -53.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -39.46 -51.55 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 53' ' ' LEU . 11.1 t80 -43.91 -64.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.39 -51.74 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -47.42 -20.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -90.58 -51.75 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.5 mp -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.629 HG13 HD22 ' A' ' 30' ' ' LEU . 3.1 mp -65.38 -54.63 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.31 -18.26 67.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -99.82 -31.97 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.14 27.52 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.24 -17.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.88 -34.2 77.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -42.22 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.846 HG13 HG21 ' A' ' 68' ' ' ILE . 3.2 t -89.45 120.32 69.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.97 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.69 150.98 31.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.815 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -22.44 32.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.07 -35.04 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.46 11.05 6.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.846 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -140.34 161.22 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.02 175.61 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' O ' HD13 ' A' ' 71' ' ' ILE . 13.1 tp -116.78 138.44 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 70' ' ' LEU . 26.4 mm -123.92 126.67 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.782 ' HD1' HG12 ' A' ' 94' ' ' VAL . 59.5 t80 -141.16 146.45 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.0 t 52.14 29.34 6.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 27.09 71.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -149.82 140.72 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.04 139.79 54.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD22 ' CE2' ' A' ' 86' ' ' TYR . 23.5 mt -101.29 128.77 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -90.57 161.47 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -73.84 -2.12 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.71 3.31 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -111.12 157.36 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' LEU . 33.3 p -124.35 151.34 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.3 mm? -35.85 -44.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.11 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.2 t80 -41.65 -49.95 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.651 ' CE2' HD22 ' A' ' 77' ' ' LEU . 33.0 m-85 -85.45 -26.43 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.12 30.96 18.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.12 129.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -101.62 155.25 36.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 96.46 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.24 -26.67 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.3 p -49.82 178.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -129.19 123.52 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 ' HD1' ' A' ' 72' ' ' TYR . 9.3 m -113.57 150.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -110.07 139.94 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 21.9 t -102.2 130.18 52.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -121.57 118.36 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.573 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.2 ptt85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 4.8 t-105 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -131.0 167.05 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -151.76 160.84 43.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.32 154.57 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 58' ' ' LEU . 98.9 t -131.49 131.45 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 5.3 mmmm -130.9 147.7 52.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -97.4 124.1 41.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.14 -30.75 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -127.26 90.03 50.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.7 -31.54 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.69 149.83 1.39 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.74 40.9 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -66.66 150.97 48.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -129.34 140.66 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -100.88 133.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 53' ' ' LEU . 12.2 tp -111.86 124.68 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -104.84 104.13 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 32' ' ' LEU . 3.2 pp -74.05 152.02 88.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.78 76.69 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.56 -40.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -48.65 139.01 10.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -91.34 127.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -42.19 -42.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -42.94 -52.9 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.699 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.2 t80 -46.6 -63.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -46.97 -54.28 10.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.25 -45.74 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -57.59 -49.6 75.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 30' ' ' LEU . 3.3 mp -60.37 -54.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.78 -24.32 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -18.28 68.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HG3' HD12 ' A' ' 30' ' ' LEU . 28.8 mmtt -98.12 -32.19 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 17' ' ' VAL . 16.1 mt -96.47 22.8 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -45.95 -21.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' SER . 9.6 pt-20 -55.95 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.0 m -112.91 -39.88 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.761 HG13 HG21 ' A' ' 68' ' ' ILE . 96.0 t -81.57 112.2 32.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 143.6 41.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.8 -11.81 31.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.98 -30.32 14.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.93 20.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -140.38 163.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -129.16 155.65 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -107.43 134.97 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mm -119.03 134.48 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.709 ' HB3' HD21 ' A' ' 77' ' ' LEU . 64.4 t80 -139.16 135.56 34.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 m 56.51 27.11 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.18 20.01 76.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -145.08 126.84 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.44 153.34 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 72' ' ' TYR . 11.4 mt -118.3 128.21 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -79.93 156.95 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.2 p30 -77.12 -0.43 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -96.75 -9.16 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.521 ' HG3' ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -94.37 176.52 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -136.16 161.86 34.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -47.11 -42.98 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -67.65 -51.35 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CG ' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -34.87 -49.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.58 -26.03 17.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.64 26.74 31.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.9 mt -50.4 139.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 18.7 mp0 -103.0 150.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.26 23.21 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 p -98.16 -179.75 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -134.68 127.38 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.11 174.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 93.5 m-70 -142.06 131.52 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.3 t -93.43 140.8 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -126.73 124.65 40.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.627 ' N ' HD13 ' A' ' 97' ' ' LEU . 5.8 mmt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.581 ' NE1' HD21 ' A' ' 32' ' ' LEU . 3.9 t-105 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -131.45 159.43 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 tp -149.71 155.92 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -96.84 155.28 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.617 HG11 HD21 ' A' ' 58' ' ' LEU . 44.9 t -137.86 134.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -140.21 125.18 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.09 126.68 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -29.44 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.29 -31.39 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.41 88.11 51.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.43 16.18 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.83 -29.03 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.62 154.12 4.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.079 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 166.28 28.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.658 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 10.1 ttmm -88.48 155.45 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -127.57 115.26 18.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.83 114.43 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' LEU . 9.6 tp -103.57 145.44 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -130.58 98.54 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 42' ' ' LEU . 4.4 pp -64.2 150.37 92.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 32' ' ' LEU . 16.7 mt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.876 0.369 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.13 69.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.42 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.459 ' CE1' HD13 ' A' ' 42' ' ' LEU . 7.9 m-85 -53.8 150.33 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.5 m -104.26 139.23 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 77' ' ' LEU . 37.7 mm -46.29 -47.7 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -39.69 -47.53 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -50.19 -64.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -45.91 -56.84 4.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 62.6 mttt -40.6 -24.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . 14.3 mt-30 -85.98 -46.51 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 5.2 mp -59.22 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -55.42 -52.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -45.94 -32.47 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.55 -31.28 30.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -74.38 -30.36 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 17' ' ' VAL . 13.2 mt -100.3 24.86 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -48.37 -19.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.11 -38.32 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.93 -44.37 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.721 HG13 HG21 ' A' ' 68' ' ' ILE . 94.1 t -75.52 114.94 41.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' NH1' ' A' ' 98' ' ' ARG . 53.3 Cg_endo -69.77 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.61 154.07 47.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.7 36.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.19 -24.51 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 mt -92.38 21.29 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.721 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -142.37 -179.72 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.19 154.03 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.89 129.82 48.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.1 mm -115.79 125.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.875 ' HB3' HD21 ' A' ' 77' ' ' LEU . 82.0 t80 -133.29 135.21 44.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 5.5 t 56.55 27.35 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.64 19.72 75.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -142.94 132.37 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -62.11 153.9 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 72' ' ' TYR . 13.5 mt -114.34 129.78 56.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -81.89 158.71 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -1.17 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.92 4.2 42.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -108.1 177.53 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -136.68 165.26 26.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -53.82 -54.17 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -37.24 80.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 5.1 t80 -51.37 -49.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.83 -28.11 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.85 15.11 29.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 83' ' ' LEU . 27.4 mt -59.3 151.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -137.72 158.48 71.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 81.04 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.98 -26.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 m -66.27 -176.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 m -134.51 132.72 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -113.28 154.05 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -118.84 134.89 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.25 129.24 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -115.92 126.96 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 mmm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.4 t-105 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -131.86 143.36 50.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.52 156.45 46.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.7 155.27 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.26 139.05 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 18.7 mmmt -136.55 140.45 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 4.8 tp -88.47 110.73 21.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -59.85 -31.34 69.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.12 -36.51 84.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 39.0 mt-30 -128.07 94.48 36.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.739 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.5 Cg_endo -69.78 -4.23 13.61 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.02 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -49.65 156.15 1.25 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.9 Cg_endo -69.71 151.59 69.41 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.08 147.3 34.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 m -126.31 117.01 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -82.86 124.64 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.915 HD21 ' CB ' ' A' ' 53' ' ' LEU . 13.7 tp -105.09 121.65 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.87 98.93 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.9 pp -66.8 150.33 97.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 39.3 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.76 77.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.63 -28.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.5 m-85 -54.24 157.54 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 p -110.07 127.33 54.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 77' ' ' LEU . 51.5 mm -38.04 -41.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -45.45 -55.35 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' HD11 ' A' ' 53' ' ' LEU . 11.3 t80 -45.05 -63.48 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.0 mt -45.88 -56.21 5.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -40.02 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 50' ' ' LEU . 23.5 mt-30 -86.81 -43.65 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.915 ' CB ' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -58.98 -45.15 91.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.77 HG13 HD22 ' A' ' 30' ' ' LEU . 4.6 mp -68.32 -64.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.48 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.52 -25.27 65.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -94.25 -24.16 17.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 mt -102.29 29.71 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -52.17 -16.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.83 -32.65 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.4 -48.04 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.111 HG13 HG21 ' A' ' 68' ' ' ILE . 4.6 t -83.95 116.99 67.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.03 150.63 39.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.82 33.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.69 -30.32 15.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.51 15.96 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.111 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -137.97 176.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -139.04 154.43 48.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 77' ' ' LEU . 15.6 tp -107.26 124.96 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.7 mm -112.35 129.52 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.872 ' HB3' HD21 ' A' ' 77' ' ' LEU . 71.4 t80 -140.46 142.79 35.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 5.9 m 51.98 28.79 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.52 70.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -151.82 132.66 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.95 153.63 20.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' A' ' 72' ' ' TYR . 9.7 mt -116.01 116.45 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -71.81 157.71 37.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.13 -3.42 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -96.29 -0.46 49.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.528 ' CD ' ' CE1' ' A' ' 85' ' ' PHE . 33.6 mm-40 -109.02 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 p -128.45 178.06 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -61.8 -53.29 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.98 -42.52 99.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' ' CD ' ' A' ' 81' ' ' GLN . 38.0 t80 -47.97 -36.54 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -94.52 -31.98 13.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 98.88 46.03 2.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 72' ' ' TYR . 28.8 mt -97.42 145.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 111.179 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.66 160.52 60.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.12 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.56 -22.35 2.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -67.18 177.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 m -130.44 129.65 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 m -106.26 156.71 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 87.8 m-70 -121.98 126.82 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.2 t -86.65 152.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -135.6 117.94 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.614 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.7 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t-105 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.796 0.332 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -131.19 164.43 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.56 161.0 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -101.57 152.07 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 58' ' ' LEU . 96.2 t -134.73 133.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.7 129.7 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' HG3' ' A' ' 22' ' ' GLN . 9.5 tp -77.11 109.8 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.02 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.99 -32.38 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.655 ' HG3' HD23 ' A' ' 19' ' ' LEU . 10.1 mt-30 -128.02 92.94 40.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.38 18.46 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.05 -27.41 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.3 148.4 23.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.687 . . . . 0.0 111.162 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.14 66.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HE2' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -74.62 147.04 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -121.15 152.63 38.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HE2' ' A' ' 27' ' ' LYS . 21.5 mm -112.21 124.34 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 54' ' ' ILE . 18.7 tp -104.35 152.05 22.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -132.22 97.83 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' PRO . 3.9 pp -68.82 151.42 97.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.803 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD11 ' CD2' ' A' ' 13' ' ' TRP . 1.6 mt . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.828 0.346 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.88 86.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.24 -23.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 82' ' ' THR . 23.7 m-85 -62.18 131.95 51.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ILE . 17.8 m -88.07 130.5 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 20.4 mm -37.56 -42.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.2 -54.89 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.548 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.8 t80 -40.79 -64.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -47.01 -57.86 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -43.79 -22.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 20.3 mt-30 -90.33 -43.36 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.0 mp -63.43 -58.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 50' ' ' LEU . 4.6 mp -55.26 -50.0 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.22 -25.19 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.15 -23.56 56.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.8 mmmp? -87.65 -33.54 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 17' ' ' VAL . 9.6 mt -98.55 26.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -49.35 -18.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.98 -35.93 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -113.44 -41.24 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 68' ' ' ILE . 66.7 t -76.84 115.45 48.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' CD ' ' HD3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.01 144.95 31.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.77 -11.44 30.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.0 -33.41 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.79 22.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.676 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -135.88 153.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.89 157.15 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.69 129.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.31 131.77 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.542 ' HB3' HD21 ' A' ' 77' ' ' LEU . 84.8 t80 -142.73 140.89 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.8 m 53.48 27.64 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.02 20.38 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.61 128.88 21.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 3.4 tmmm? -65.56 146.64 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.0 mt -110.5 124.47 51.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -73.19 165.67 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.92 0.28 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -95.58 -13.29 24.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -95.01 176.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 45' ' ' TYR . 8.7 p -134.03 170.65 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.62 -42.17 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.03 -45.09 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -47.71 -39.11 16.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -94.57 -25.09 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.13 39.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 17.5 mt -60.45 154.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 47.2 mm-40 -120.83 149.52 50.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.74 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.75 5.15 16.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.1 m -93.18 177.41 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.463 HG23 ' CB ' ' A' ' 16' ' ' ALA . 3.4 m -130.63 129.97 43.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.34 161.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -118.62 145.53 45.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 125.9 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.3 124.69 51.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.605 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.0 mtm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.7 t-105 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.805 0.336 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -127.78 158.37 37.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.804 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.27 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -95.46 148.91 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.34 136.81 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -140.47 137.1 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -87.03 114.27 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -63.25 -22.58 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -79.04 -32.46 44.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -127.38 88.77 53.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.46 -30.31 13.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.39 150.85 11.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.048 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.09 59.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -70.79 156.42 39.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -129.2 140.28 51.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -95.88 124.06 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.7 tp -109.37 135.11 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -121.74 104.71 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.5 pp -73.14 150.08 89.76 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' GLY . 1.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.99 60.91 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -35.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 25.2 m-85 -54.32 132.79 44.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 3.2 m -85.36 134.52 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.1 mm -37.78 -50.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -43.69 -48.22 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 53' ' ' LEU . 12.1 t80 -42.27 -61.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.2 mt -46.92 -57.28 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.06 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.3 mt-30 -84.94 -48.14 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.666 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.3 mp -59.38 -47.78 84.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 96' ' ' VAL . 2.6 mp -64.55 -41.8 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -62.55 -19.96 64.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.18 -24.43 40.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -93.05 -29.46 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -98.57 25.43 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.5 -15.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.7 -33.88 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -118.35 -48.52 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG13 HG21 ' A' ' 68' ' ' ILE . 76.5 t -67.56 116.37 36.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 151.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.76 -20.86 34.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -88.92 -29.26 19.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -85.68 12.84 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -134.97 167.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -135.58 167.97 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.4 tp -114.18 136.64 52.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 76' ' ' LYS . 37.7 mm -119.86 128.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.62 ' HB3' HD21 ' A' ' 77' ' ' LEU . 44.6 t80 -137.93 135.87 36.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.9 t 60.72 28.15 17.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.27 23.97 72.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -152.85 137.11 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.0 ttmp? -66.82 159.57 27.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 6.5 mt -119.41 126.48 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -64.13 161.23 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -2.81 55.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.8 4.12 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -107.12 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -126.33 167.71 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.78 -47.67 64.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -67.25 -44.28 79.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.04 -43.55 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.88 -26.33 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.31 28.22 20.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.3 mt -59.47 128.97 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -93.65 151.09 39.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.81 8.77 12.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.5 m -96.15 173.08 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.8 m -124.48 140.07 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -115.33 139.3 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -106.38 135.39 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 54' ' ' ILE . 41.0 t -96.55 138.12 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.5 tm? -127.86 120.9 28.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 97' ' ' LEU . 39.5 mtm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.548 ' NE1' HD21 ' A' ' 32' ' ' LEU . 2.5 t-105 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . 4.5 p80 -131.84 154.59 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.86 152.99 49.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -91.1 127.28 36.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.2 t -112.3 132.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -129.39 129.83 45.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.34 104.69 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -53.4 -35.76 60.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.75 -39.77 85.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 53.3 mt-30 -128.06 98.96 25.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.7 Cg_endo -69.75 -7.43 21.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.87 -30.86 12.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.31 149.63 0.94 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 143.07 49.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 5.0 ttpm? -67.53 141.6 56.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -122.12 112.57 18.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 14' ' ' HIS . 38.7 mm -74.48 130.83 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 54' ' ' ILE . 10.1 tp -108.92 150.78 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 40.6 mt-30 -127.42 110.53 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.2 pp -86.58 149.74 49.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.74 71.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.04 -26.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 10.5 m-85 -61.23 130.11 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.995 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' ILE . 2.6 m -81.21 126.58 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.516 HG22 ' HD2' ' A' ' 51' ' ' LYS . 42.5 mm -33.57 -50.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -51.52 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.736 ' O ' HD12 ' A' ' 53' ' ' LEU . 46.9 t80 -43.68 -52.64 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 83' ' ' LEU . 16.7 mt -60.47 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD2' HG22 ' A' ' 47' ' ' ILE . 13.1 mtpt -48.6 -18.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -89.16 -46.83 8.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.4 mp -60.85 -50.72 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 50' ' ' LEU . 4.4 mp -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -55.8 -35.51 66.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.11 -25.82 67.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.71 -30.28 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.49 26.88 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -49.98 -18.92 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.05 -39.86 91.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -114.25 -41.86 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 68' ' ' ILE . 54.9 t -75.06 118.53 71.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.01 151.64 45.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.75 -13.05 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -93.07 -28.25 16.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.42 21.66 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -141.95 172.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -143.71 172.83 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -118.54 136.18 53.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -120.52 131.84 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.775 ' HD2' HG12 ' A' ' 94' ' ' VAL . 60.5 t80 -142.72 150.02 39.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.7 t 45.29 38.64 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.4 35.98 91.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.7 ptm85 -158.98 141.51 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -68.58 147.1 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 72' ' ' TYR . 39.2 mt -106.51 116.53 32.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -78.06 161.41 27.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -78.94 -6.35 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.35 24.5 3.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 mp0 -138.27 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -123.78 167.76 13.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 50' ' ' LEU . 1.9 mm? -54.59 -40.81 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.79 -53.98 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' GLN . 90.0 t80 -41.08 -40.31 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' HD2' HD11 ' A' ' 47' ' ' ILE . 9.9 m-85 -85.17 -31.09 23.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 94.41 45.86 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.13 144.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -130.7 160.57 65.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 80.93 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.74 -20.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -66.97 177.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.439 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -126.17 123.83 39.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.7 m -108.43 157.78 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -118.32 125.6 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.567 ' CG2' HG21 ' A' ' 54' ' ' ILE . 51.7 t -87.25 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -136.46 117.65 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.539 ' CH2' ' HD3' ' A' ' 90' ' ' PRO . 6.8 t-105 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -127.32 153.45 46.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.39 152.83 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -93.14 149.77 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -130.75 132.77 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -134.29 145.96 49.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 22' ' ' GLN . 2.1 tp -95.01 126.09 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -76.31 -16.67 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -89.91 -26.17 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.478 ' N ' HD23 ' A' ' 19' ' ' LEU . 34.2 mt-30 -131.93 85.68 50.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.87 19.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.66 -26.16 15.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.51 149.26 51.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.65 36.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 6.9 ttpm? -61.13 154.97 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -129.65 134.22 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.7 131.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.685 HD22 HG13 ' A' ' 54' ' ' ILE . 14.8 tp -111.68 136.05 51.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.4 98.22 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.9 pp -73.25 152.22 90.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.819 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 45' ' ' TYR . 29.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.89 71.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.91 -36.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.0 m-85 -56.13 147.73 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -102.93 136.28 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.39 -48.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 t -39.73 -52.15 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.769 ' CE2' HD11 ' A' ' 53' ' ' LEU . 24.8 t80 -49.39 -60.23 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -46.14 -58.59 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -42.32 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' LEU . 17.4 mt-30 -84.58 -49.92 8.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -55.85 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.685 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -55.94 -48.4 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -29.5 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.43 76.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -95.95 -40.82 9.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' GLU . 13.8 mt -70.49 -0.49 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -31.66 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt-20 -43.41 -51.59 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -112.38 -33.53 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.88 116.01 56.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.88 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -150.6 156.38 36.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.55 34.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -86.27 -28.17 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.74 8.54 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.7 pp -140.91 153.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' CG ' ' HB3' ' A' ' 97' ' ' LEU . 2.1 p30 -117.61 173.29 6.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' HD13 ' A' ' 71' ' ' ILE . 7.0 tp -113.71 132.07 55.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' LEU . 27.5 mm -121.45 127.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.821 ' HB3' HD21 ' A' ' 77' ' ' LEU . 12.5 t80 -142.44 144.86 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 42.2 t 51.64 34.73 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.79 33.05 86.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -160.22 129.96 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -55.11 151.6 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 72' ' ' TYR . 19.4 mt -112.42 111.15 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -63.06 163.14 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.73 2.59 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -101.3 -4.38 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -97.4 -177.97 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -138.13 164.52 28.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -51.48 -39.9 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -50.37 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -43.16 -34.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD2' HD22 ' A' ' 77' ' ' LEU . 18.4 m-85 -97.97 -28.49 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.71 48.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.5 mt -52.4 147.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -134.29 161.39 64.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.539 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.7 3.04 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.31 -3.47 19.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m -89.6 174.55 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 85.8 m -130.47 130.54 44.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.559 HG12 ' HD2' ' A' ' 72' ' ' TYR . 8.0 m -106.38 137.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -97.29 145.76 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 52.8 t -105.11 148.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -123.46 135.88 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' HD13 ' A' ' 97' ' ' LEU . 24.5 mmm-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.523 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.0 t-105 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -130.64 153.01 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.65 156.01 44.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.65 146.73 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.99 134.13 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -135.38 129.51 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 22' ' ' GLN . 3.8 tp -79.57 113.29 17.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.51 84.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.26 -35.24 79.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.591 ' HB2' HD23 ' A' ' 19' ' ' LEU . 40.1 mt-30 -125.18 91.01 49.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.3 32.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -92.62 -27.41 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.92 153.01 4.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.36 68.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.03 155.14 38.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -131.97 125.45 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.43 119.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.8 tp -102.99 130.33 50.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -110.56 99.77 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.85 153.23 95.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 19.9 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.88 81.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.73 -31.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE2' HD13 ' A' ' 42' ' ' LEU . 13.4 m-85 -52.72 135.87 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.3 p -88.73 126.55 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.9 mm -35.69 -37.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -49.63 -53.12 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 11.5 t80 -43.82 -62.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -47.03 -57.61 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -43.21 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.4 mt-30 -89.09 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -52.85 -54.5 33.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 96' ' ' VAL . 4.4 mp -58.37 -53.3 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.17 -35.94 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -27.08 70.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -88.28 -30.76 19.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -101.36 28.81 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.55 -16.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.7 pt-20 -66.03 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.7 m -115.67 -43.02 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 63.9 t -76.83 119.78 78.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -150.2 149.36 26.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.66 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.88 -26.08 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.96 20.12 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.8 pp -141.55 169.85 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -138.64 -179.31 5.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.9 tp -125.25 137.71 54.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -120.29 132.24 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.789 ' HD2' HG12 ' A' ' 94' ' ' VAL . 55.4 t80 -142.83 143.77 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.448 ' HG ' ' HG2' ' A' ' 75' ' ' ARG . 1.5 p 49.71 25.77 1.61 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.88 59.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG2' ' HG ' ' A' ' 73' ' ' CYS . 1.8 ptp180 -147.85 132.59 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 128.45 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 7.5 mt -94.25 114.58 26.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 81' ' ' GLN . 14.8 pttt -64.45 176.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.31 9.37 38.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -105.1 -1.11 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.679 ' NE2' ' CD1' ' A' ' 85' ' ' PHE . 7.7 mm100 -102.42 172.18 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' LEU . 8.8 p -129.64 150.13 51.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.9 mm? -37.46 -40.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.91 -49.79 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.679 ' CD1' ' NE2' ' A' ' 81' ' ' GLN . 5.1 t80 -41.35 -41.63 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 15.6 m-85 -89.55 -24.39 21.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.03 23.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.9 130.23 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -106.3 154.69 39.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.75 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.57 -13.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.5 p -71.26 -175.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -127.06 132.46 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.789 HG12 ' HD2' ' A' ' 72' ' ' TYR . 30.9 m -120.7 128.04 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.93 133.1 35.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 54' ' ' ILE . 25.2 t -97.38 130.64 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -124.13 119.44 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.534 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.5 ptt-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 2.0 t-105 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -129.31 164.81 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -150.56 157.09 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -96.97 153.0 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.09 137.73 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -139.19 149.28 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.5 tp -97.28 114.8 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.84 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.45 -25.22 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' HD23 ' A' ' 19' ' ' LEU . 30.3 mt-30 -134.07 87.17 35.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.27 15.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.16 -25.12 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 148.7 7.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 111.076 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.05 7.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -43.44 148.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -124.02 135.23 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mm -100.71 130.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 53' ' ' LEU . 13.3 tp -114.15 148.56 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.38 102.5 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 42' ' ' LEU . 2.7 pp -69.93 152.31 95.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.881 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 32' ' ' LEU . 23.4 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.343 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.81 76.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.0 -26.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.51 136.67 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ILE . 51.5 m -91.98 126.96 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . 40.0 mm -34.73 -49.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -39.87 -58.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CE2' HD11 ' A' ' 53' ' ' LEU . 16.6 t80 -44.05 -55.22 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.76 -51.6 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -53.22 -15.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -90.73 -47.57 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.844 ' HB3' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -56.88 -58.11 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -59.41 -42.26 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -23.49 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.47 -18.89 54.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -93.23 -34.68 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.08 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.36 -19.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.26 -35.72 74.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -119.95 -40.38 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 68' ' ' ILE . 47.3 t -76.54 117.62 65.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.21 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.42 156.15 39.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.69 35.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.08 -26.39 22.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.2 18.71 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.401 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.22 166.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -135.75 156.31 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -106.31 132.71 52.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.96 129.28 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.475 ' HB3' HD21 ' A' ' 77' ' ' LEU . 41.3 t80 -141.61 135.02 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.9 t 64.16 30.11 13.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.59 77.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.11 140.43 30.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -69.92 148.55 48.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 72' ' ' TYR . 18.1 mt -107.69 136.55 47.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -92.93 161.08 14.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -76.3 -7.63 55.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.14 -1.44 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.667 ' NE2' ' CE1' ' A' ' 85' ' ' PHE . 5.3 mm100 -108.37 176.82 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -138.19 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.3 mm? -62.1 -39.23 91.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -39.38 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.667 ' CE1' ' NE2' ' A' ' 81' ' ' GLN . 11.0 t80 -48.59 -42.71 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.76 -32.69 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.07 23.11 13.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.36 132.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -100.7 152.18 37.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.554 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 2.18 3.78 Favored 'Trans proline' 0 C--O 1.23 0.116 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.22 5.4 23.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.11 -174.74 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.43 . . . . 0.0 110.85 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.432 HG23 ' CB ' ' A' ' 16' ' ' ALA . 4.6 m -134.76 136.19 42.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.67 148.14 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -109.72 149.07 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.76 124.45 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.71 123.96 49.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.572 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.9 mmm-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 t-105 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -128.22 164.43 22.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.14 160.0 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -105.36 154.08 20.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' LYS . 69.2 t -137.65 154.3 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.9 mmmm -148.91 130.96 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 22' ' ' GLN . 19.6 tp -80.86 98.94 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -52.7 -34.13 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.15 -36.82 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HD23 ' A' ' 19' ' ' LEU . 54.9 mt-30 -125.5 93.77 44.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.68 37.16 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.32 -27.43 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.85 146.14 95.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.52 21.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -86.35 142.69 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 m -119.99 131.68 55.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.3 mm -89.19 137.35 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG13 ' A' ' 54' ' ' ILE . 5.6 tp -124.87 132.76 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -112.63 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -79.34 153.08 76.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 13' ' ' TRP . 6.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.4 70.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.65 -30.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' A' ' 42' ' ' LEU . 16.9 m-85 -53.17 128.73 28.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.354 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ILE . 4.0 m -89.31 127.46 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' SER . 47.2 mm -33.91 -49.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -44.96 -49.76 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 37.1 t80 -42.1 -64.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 54' ' ' ILE . 30.8 mt -48.92 -55.49 11.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -43.76 -22.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.7 mt-30 -86.75 -48.23 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.2 mp -58.92 -57.18 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 HD22 ' A' ' 30' ' ' LEU . 5.1 mp -52.9 -45.63 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.87 81.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.95 79.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -96.91 -33.63 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.1 mt -97.56 28.32 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.05 -16.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.5 pt-20 -66.96 -35.26 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 5.1 m -115.31 -43.8 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.503 HG13 HG21 ' A' ' 68' ' ' ILE . 71.8 t -75.51 122.81 87.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -154.9 153.63 27.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.75 25.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.18 -27.48 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.3 mt -87.8 19.9 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -145.05 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.11 174.02 8.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' HD13 ' A' ' 71' ' ' ILE . 12.8 tp -119.8 139.54 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 70' ' ' LEU . 38.8 mm -126.13 134.54 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.595 ' HB3' HD21 ' A' ' 77' ' ' LEU . 73.1 t80 -143.02 150.47 39.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 72' ' ' TYR . 2.3 t 42.28 38.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.64 35.67 92.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -159.48 136.14 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 tmmm? -67.66 148.41 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 72' ' ' TYR . 10.8 mt -112.87 122.11 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 163.31 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.46 -21.71 48.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.34 -12.82 58.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -84.54 167.14 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -127.67 178.48 6.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.48 -44.88 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' PHE . 11.0 t70 -67.63 -51.8 45.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ASP . 26.6 t80 -36.08 -41.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.01 -30.1 14.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.14 30.39 11.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.92 152.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.53 155.3 50.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 27.92 5.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 m -110.92 169.41 8.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 m -120.26 120.52 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.484 HG12 ' HD1' ' A' ' 72' ' ' TYR . 25.1 m -103.7 141.57 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -104.25 154.23 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.8 t -110.85 134.67 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.09 119.06 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 5.1 t-105 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -131.83 149.5 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.09 159.21 42.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.24 150.55 21.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.28 124.94 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -126.99 139.81 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 22' ' ' GLN . 9.7 tp -88.39 123.2 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.65 -22.48 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.03 -32.25 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.739 ' HB2' HD23 ' A' ' 19' ' ' LEU . 57.6 mt-30 -127.8 90.08 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.97 -29.65 14.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.54 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.17 53.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -63.42 148.21 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -121.39 117.3 26.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.09 128.26 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 tp -112.78 141.42 46.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -130.69 107.07 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -69.84 151.87 96.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 45' ' ' TYR . 42.1 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.8 41.96 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -33.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 42' ' ' LEU . 22.7 m-85 -53.32 139.9 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.955 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -91.43 131.63 36.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -39.59 -43.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -47.33 -51.24 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 53' ' ' LEU . 13.0 t80 -42.54 -65.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 54' ' ' ILE . 27.2 mt -46.77 -55.92 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -43.88 -22.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.4 mt-30 -89.61 -45.78 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -59.71 -44.51 93.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 96' ' ' VAL . 4.0 mp -64.37 -52.83 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -57.56 -26.94 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.89 -28.88 53.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -87.87 -34.88 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.334 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -97.1 25.89 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.91 -16.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.02 -33.36 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -114.05 -42.83 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 70.7 t -84.38 118.78 71.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.02 149.96 51.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.505 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -20.77 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -84.38 -26.25 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.1 mt -86.94 10.7 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.9 pt -129.55 177.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 1.3 p30 -150.76 153.37 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 94' ' ' VAL . 8.7 tp -100.47 129.73 46.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 76' ' ' LYS . 31.0 mm -113.37 124.46 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t80 -138.52 150.51 46.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 6.0 t 48.82 30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.44 71.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -154.82 137.24 14.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.2 ttpp -61.77 152.04 32.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 72' ' ' TYR . 23.1 mt -113.44 114.26 26.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -64.23 155.81 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -86.6 27.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -126.2 7.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -115.6 -177.74 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.531 ' OG1' ' CD1' ' A' ' 85' ' ' PHE . 67.6 p -130.16 172.16 12.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.67 -36.66 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.46 -43.04 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 3.6 m-30 -43.5 -54.41 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.39 -28.49 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.83 18.08 26.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.42 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.0 mt -60.16 132.25 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -119.53 159.26 46.71 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.586 0.707 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 90.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.73 -16.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -69.82 -176.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 m -134.88 116.74 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 70' ' ' LEU . 3.7 m -102.16 156.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -115.82 131.8 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.557 ' CG2' HG21 ' A' ' 54' ' ' ILE . 71.9 t -84.96 145.68 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -128.59 140.88 51.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 97' ' ' LEU . 23.4 mmm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.532 ' NE1' HD21 ' A' ' 32' ' ' LEU . 9.2 t-105 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -131.0 158.89 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 7.6 tp -145.89 153.68 41.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -96.29 152.74 18.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 54' ' ' ILE . 53.8 t -139.51 135.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -132.02 143.37 50.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 22' ' ' GLN . 7.9 tp -85.58 113.87 22.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -67.1 -27.52 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -81.64 -29.05 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.561 ' HB2' HD23 ' A' ' 19' ' ' LEU . 21.8 mt-30 -124.86 88.81 53.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.22 15.69 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.83 -30.69 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 154.13 3.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.33 27.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -85.26 150.51 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -122.52 115.56 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.69 114.18 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.74 HD22 HG13 ' A' ' 54' ' ' ILE . 6.5 tp -105.17 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -127.74 103.26 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.3 pp -63.99 152.01 88.39 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.733 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.837 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CE1' ' A' ' 45' ' ' TYR . 12.5 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.68 68.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.88 -28.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -53.79 142.87 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ILE . 84.4 p -95.58 126.72 41.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 51' ' ' LYS . 28.3 mm -35.5 -49.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -39.73 -55.0 2.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.4 t80 -42.04 -66.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 54' ' ' ILE . 15.9 mt -45.66 -57.18 4.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.5 ' HD2' HG22 ' A' ' 47' ' ' ILE . 27.4 mttt -40.85 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.9 mt-30 -86.83 -44.27 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.4 mp -62.78 -50.85 69.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.74 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -59.47 -49.38 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -53.84 -29.93 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -27.19 71.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -87.61 -38.51 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.1 mt -74.59 0.48 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -31.82 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' LEU . 15.3 pt-20 -41.22 -50.81 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 2.0 m -116.34 -32.24 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 68' ' ' ILE . 63.2 t -78.72 112.16 24.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.64 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.2 153.86 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.537 0.684 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -21.48 33.54 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.61 -28.29 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -139.96 -179.39 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -147.53 161.26 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 94' ' ' VAL . 12.4 tp -116.38 128.22 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.5 133.85 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.757 ' HB3' HD21 ' A' ' 77' ' ' LEU . 23.0 t80 -143.17 150.93 40.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 35.5 t 45.29 38.57 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.59 80.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 9.5 ptp180 -155.1 140.85 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.85 140.66 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 72' ' ' TYR . 45.1 mt -100.29 113.75 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.42 157.88 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -28.29 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.1 -20.07 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -85.65 171.78 11.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.2 p -132.5 169.96 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -57.71 -35.94 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.49 -47.02 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -40.63 -47.44 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CE1' ' HD2' ' A' ' 75' ' ' ARG . 46.1 m-85 -88.63 -34.3 17.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.89 16.71 18.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.95 146.52 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 mt-30 -132.36 161.68 61.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.523 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.37 11.8 14.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 m -103.2 173.51 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.41 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -129.61 133.63 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.59 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.9 m -107.76 166.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.58 132.31 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.5 t -94.03 141.86 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -126.41 122.04 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.604 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.6 mtt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.633 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.0 t-105 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -128.87 131.63 47.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 11.2 tp -123.28 157.81 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 153.48 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.22 121.94 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -117.69 157.62 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 22' ' ' GLN . 16.5 tp -106.24 103.57 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.98 69.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -67.68 -29.57 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.689 ' HB2' HD23 ' A' ' 19' ' ' LEU . 64.7 mt-30 -133.9 88.43 32.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -8.19 22.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.54 -28.81 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -58.31 160.2 9.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.8 Cg_endo -69.78 172.6 12.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -96.85 155.4 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -127.78 143.25 51.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -106.68 133.88 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.716 HD22 HG13 ' A' ' 54' ' ' ILE . 8.9 tp -119.8 144.96 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -122.15 102.16 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -71.53 151.45 93.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.58 58.64 2.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.84 -31.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 29.6 m-85 -60.97 141.34 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.967 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.3 m -92.66 129.13 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 24.2 mm -34.25 -51.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -45.17 -48.03 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 35.4 t80 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 54' ' ' ILE . 22.3 mt -52.32 -53.63 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -43.64 -23.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -84.7 -50.72 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mp -56.8 -51.47 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.716 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.27 69.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.64 -19.17 72.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -99.02 -36.69 9.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.536 HD11 HG21 ' A' ' 96' ' ' VAL . 36.2 mt -74.0 2.2 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -32.54 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.3 pp20? -44.39 -50.95 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -115.13 -34.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 HG21 ' A' ' 68' ' ' ILE . 25.7 t -79.5 112.19 26.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -142.65 154.48 62.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.96 32.89 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -85.8 -25.23 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.38 19.17 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.433 HG21 HG22 ' A' ' 62' ' ' VAL . 2.6 pp -143.56 177.85 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -139.29 -175.9 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -136.17 130.03 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 23.1 mm -121.59 131.31 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.609 ' HB3' HD21 ' A' ' 77' ' ' LEU . 3.7 t80 -142.76 129.95 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.2 t 69.36 30.87 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.21 31.86 68.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.2 ptm85 -160.47 144.01 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 9.0 ttmt -71.03 157.57 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.3 mt -118.24 125.46 50.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 165.35 25.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -88.68 21.64 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.42 8.19 10.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 6.0 mm-40 -115.9 168.78 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 p -119.95 170.03 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -56.39 -41.46 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.77 -37.34 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 5.2 t80 -51.98 -46.22 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 13.8 m-85 -84.41 -32.22 24.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.43 21.47 9.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.8 mt -66.15 146.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt-30 -131.09 161.61 60.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.3 2.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.366 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.98 20.37 6.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 m -134.84 134.39 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -113.3 132.04 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.25 120.59 33.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 58' ' ' LEU . 24.0 t -84.19 131.43 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 118.06 27.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.3 t-105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.48 134.0 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 tp -119.53 155.37 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.61 138.37 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 54' ' ' ILE . 68.5 t -124.36 146.26 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -147.28 130.99 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 16.1 tp -78.45 106.05 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.95 -37.44 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 22.7 mt-30 -122.66 95.37 46.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -11.6 31.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.46 -35.38 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.91 148.53 3.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -86.71 146.29 26.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -122.13 107.48 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -73.89 123.52 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.782 HD22 HG13 ' A' ' 54' ' ' ILE . 12.0 tp -102.91 144.81 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.56 99.77 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.3 pp -72.5 152.67 91.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.4 mt . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.13 71.01 0.14 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.11 -28.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 13.0 m-85 -64.39 124.31 21.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 82' ' ' THR . 49.6 p -81.39 128.05 33.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.6 mm -34.12 -44.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 79' ' ' ASP . 33.7 t -47.47 -51.86 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 53' ' ' LEU . 46.0 t80 -46.07 -65.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LEU . 16.8 mt -44.12 -58.18 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -38.41 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 28.4 mt-30 -81.68 -41.57 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.2 mp -65.43 -56.19 13.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.782 HG13 HD22 ' A' ' 30' ' ' LEU . 5.2 mp -56.49 -52.49 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.0 -30.82 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.68 -22.76 78.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -94.16 -37.27 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 17' ' ' VAL . 25.5 mt -74.41 2.59 9.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -32.73 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.8 pp20? -38.79 -47.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 2.9 m -121.1 -29.28 4.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 68' ' ' ILE . 95.6 t -79.08 111.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -145.07 153.28 53.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.0 37.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -86.76 -29.87 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.76 22.8 2.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.714 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.8 pp -142.81 176.99 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.12 172.83 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.17 133.51 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.9 mm -124.6 135.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' HD21 ' A' ' 77' ' ' LEU . 63.8 t80 -143.0 139.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.442 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 52.08 35.87 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.83 20.97 72.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 31.3 ptt180 -141.91 133.68 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 140.47 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 72' ' ' TYR . 21.4 mt -101.63 127.61 48.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -84.42 159.53 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 97.6 m-20 -71.18 -21.63 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.67 -18.4 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 3.6 mp0 -92.4 178.07 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 46' ' ' SER . 40.5 p -140.77 -175.18 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 mm? -62.75 -51.98 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' PHE . 9.6 t70 -67.55 -43.39 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -36.94 -45.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 81' ' ' GLN . 60.4 m-85 -94.19 -35.19 12.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.95 34.36 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -71.28 147.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -122.46 154.02 62.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.73 89.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.26 -22.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.7 p -63.82 -179.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 m -132.65 124.48 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.92 156.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 67.4 m80 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -98.87 133.83 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.2 117.6 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.714 ' HG2' HG22 ' A' ' 68' ' ' ILE . 24.6 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.67 ' CD1' HD21 ' A' ' 32' ' ' LEU . 6.9 t-105 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -131.68 149.42 52.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -133.07 159.69 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -100.03 143.64 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 58' ' ' LEU . 90.0 t -122.27 132.36 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -133.17 140.2 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.9 tp -91.49 106.37 18.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.61 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.89 -28.11 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.603 ' HG3' HD23 ' A' ' 19' ' ' LEU . 38.8 mt-30 -128.87 88.48 51.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.38 18.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.49 -30.6 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.17 148.59 2.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.5 17.69 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 21.2 ttpt -59.21 139.82 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -118.94 138.24 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.2 135.02 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 54' ' ' ILE . 33.4 tp -106.72 146.7 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -129.36 107.93 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -79.22 150.78 74.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.457 HD13 ' CD2' ' A' ' 45' ' ' TYR . 10.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.2 59.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.27 -28.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CD2' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -62.03 130.41 45.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.2 m -86.39 129.13 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' SER . 36.2 mm -36.22 -48.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -39.51 -53.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.805 ' CE2' HD11 ' A' ' 53' ' ' LEU . 26.9 t80 -47.16 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 53' ' ' LEU . 17.3 mt -46.22 -56.25 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -41.46 -24.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' LEU . 18.2 mt-30 -88.38 -47.13 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.9 mp -53.66 -49.03 68.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -63.1 -55.45 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -49.67 -33.95 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -28.94 66.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -85.13 -26.18 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' A' ' 17' ' ' VAL . 25.3 mt -102.75 24.97 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.06 -15.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.28 -35.72 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -119.26 -43.61 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -72.21 120.69 81.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -152.4 152.09 28.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.84 -15.41 36.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.5 -29.62 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -87.36 14.55 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.03 167.46 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -131.46 164.79 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 tp -112.35 141.02 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 76' ' ' LYS . 11.0 mm -129.77 131.6 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 77' ' ' LEU . 80.6 t80 -139.71 145.9 38.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 50.22 28.45 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.43 26.76 69.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -149.95 134.05 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HA ' HD13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.24 148.88 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 72' ' ' TYR . 20.0 mt -111.91 124.55 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -78.11 159.13 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.56 0.5 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.99 -9.44 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 1.4 mp0 -101.58 173.35 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.8 p -131.64 -175.2 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.64 -52.51 64.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' GLY . 5.4 t70 -57.72 -56.38 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 10.2 t80 -34.45 -48.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -88.83 -25.98 21.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 83.36 25.48 47.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mt -52.78 138.98 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -107.16 153.5 41.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.27 25.43 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.4 p -105.35 179.46 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.981 0.42 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 67.3 m -134.23 140.23 46.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -118.0 162.8 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -123.79 147.87 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.73 126.41 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.532 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -117.68 119.84 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.532 ' N ' HD13 ' A' ' 97' ' ' LEU . 11.7 mtm105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.799 ' CD2' HD11 ' A' ' 42' ' ' LEU . 4.7 t-105 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -129.67 149.88 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -135.73 156.1 49.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.59 149.69 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.05 129.16 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -130.63 136.32 48.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 22' ' ' GLN . 3.3 tp -82.98 116.02 22.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.57 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 19' ' ' LEU . 32.2 mt-30 -123.23 92.17 49.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 54.1 Cg_endo -69.73 -6.96 19.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -98.74 -34.17 10.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.78 154.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.91 68.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -76.31 142.77 41.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -118.76 126.96 53.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.95 128.08 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 8.8 tp -109.86 145.47 36.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -133.74 112.65 11.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.25 154.81 76.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 13' ' ' TRP . 3.1 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.885 0.374 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 32.61 76.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.12 -31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.422 ' O ' HD23 ' A' ' 83' ' ' LEU . 11.4 m-85 -61.04 122.4 14.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -82.46 135.07 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -44.67 -46.26 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -43.73 -41.3 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.868 ' CE1' HD11 ' A' ' 53' ' ' LEU . 21.8 t80 -51.23 -61.14 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' GLN . 15.4 mt -50.5 -52.79 35.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -44.05 -22.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 50' ' ' LEU . 26.1 mt-30 -88.71 -53.15 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CE1' ' A' ' 49' ' ' PHE . 5.4 mp -57.02 -40.69 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG21 HG21 ' A' ' 96' ' ' VAL . 15.9 mt -64.75 -55.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.09 -28.77 41.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.08 -25.67 57.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 17.0 mmmt -88.03 -38.04 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.81 24.5 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.92 -18.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -64.38 -34.26 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -117.67 -44.65 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 68' ' ' ILE . 96.3 t -77.44 118.13 69.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.36 154.58 36.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HA ' HD11 ' A' ' 68' ' ' ILE . 54.0 Cg_endo -69.8 -20.76 34.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -85.21 -28.21 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.48 20.83 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.796 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.6 pp -142.72 167.91 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.45 161.5 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 94' ' ' VAL . 22.1 tp -113.38 125.88 54.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mm -114.64 129.93 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.697 ' HB3' HD21 ' A' ' 77' ' ' LEU . 52.9 t80 -140.62 141.38 35.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 4.7 t 54.33 25.82 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.68 26.15 61.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -153.22 136.56 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.07 132.07 47.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.8 mt -92.34 119.27 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -66.35 159.75 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.86 28.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -122.41 -26.09 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HG3' ' CE2' ' A' ' 85' ' ' PHE . 6.2 mp0 -85.4 177.5 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 ' H ' ' CB ' ' A' ' 85' ' ' PHE . 3.0 p -128.57 173.56 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 45' ' ' TYR . 1.1 mm? -54.05 -53.5 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.28 -34.7 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' GLN . 8.4 t80 -52.18 -45.36 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -90.22 -22.64 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.69 29.45 23.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 72' ' ' TYR . 37.1 mt -65.48 155.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 21.2 mp0 -122.72 149.5 56.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.709 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.525 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.76 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.54 -11.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 p -66.02 -178.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -131.3 116.27 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 70' ' ' LEU . 3.6 m -101.62 131.3 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.8 141.65 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 54' ' ' ILE . 47.7 t -100.95 137.7 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -132.91 124.63 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.796 ' HG2' HG22 ' A' ' 68' ' ' ILE . 11.3 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.693 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.2 t-105 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.762 0.315 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -129.84 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.07 153.94 46.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -100.14 140.25 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 58' ' ' LEU . 89.4 t -121.45 125.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -120.34 138.68 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 22' ' ' GLN . 5.3 tp -91.04 102.29 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -39.41 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.07 -37.29 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.593 ' HG3' HD23 ' A' ' 19' ' ' LEU . 52.6 mt-30 -119.69 93.67 47.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.73 24.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -98.94 -34.59 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.66 151.91 0.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.72 13.96 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 16.3 ttmt -84.63 152.21 23.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.07 106.88 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.7 mm -78.75 120.92 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD12 ' NZ ' ' A' ' 57' ' ' LYS . 11.8 tp -104.1 141.87 35.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -122.15 96.48 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -63.32 151.66 86.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.655 HD13 ' CE2' ' A' ' 45' ' ' TYR . 41.6 mt . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.41 74.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.37 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.655 ' CE2' HD13 ' A' ' 42' ' ' LEU . 21.1 m-85 -49.07 138.97 11.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' ILE . 22.5 p -89.53 126.53 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.7 mm -36.78 -43.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 p -49.28 -48.03 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 53' ' ' LEU . 36.2 t80 -47.16 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' LEU . 17.7 mt -43.48 -60.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 79.3 mttt -36.31 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.3 mt-30 -79.11 -44.8 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -61.99 -51.62 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.9 mp -57.47 -56.85 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.62 -37.66 28.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -31.85 64.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' NZ ' HD12 ' A' ' 30' ' ' LEU . 10.8 mmtp -81.97 -30.15 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 17' ' ' VAL . 23.4 mt -102.27 26.03 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.7 -18.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.7 pt-20 -62.29 -39.9 94.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.4 m -113.86 -43.26 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG13 HG21 ' A' ' 68' ' ' ILE . 49.2 t -70.59 119.09 70.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.54 151.37 28.64 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -17.97 37.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -87.04 -30.85 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.69 27.07 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.74 171.27 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.69 170.88 14.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -116.46 133.19 56.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . 41.7 mm -122.5 129.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.809 ' HD2' HG12 ' A' ' 94' ' ' VAL . 33.5 t80 -142.85 140.6 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 8.3 t 55.22 37.96 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.02 31.91 82.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -158.01 135.07 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 13.2 ttpp -69.6 147.85 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 86' ' ' TYR . 9.5 mt -110.71 127.02 55.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 81' ' ' GLN . 3.4 ptpt -61.56 174.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.11 13.94 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.34 -9.89 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' CG ' ' A' ' 85' ' ' PHE . 15.0 mm-40 -88.11 -178.08 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.0 p -128.77 164.27 23.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.92 -37.2 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' PHE . 18.0 t70 -71.12 -51.14 26.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 32.4 t80 -34.02 -56.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 77' ' ' LEU . 48.8 m-85 -76.82 -30.97 56.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 96.71 37.71 4.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -81.82 133.03 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.52 155.07 44.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.521 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.8 -24.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -65.3 -175.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -131.95 118.42 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.809 HG12 ' HD2' ' A' ' 72' ' ' TYR . 13.8 m -100.66 144.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -101.85 146.64 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.497 HG21 HG21 ' A' ' 54' ' ' ILE . 47.8 t -113.12 136.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.5 tm? -128.05 121.33 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.6 t-105 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -127.44 160.21 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -145.25 159.52 42.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.623 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -100.84 147.03 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.34 123.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -120.43 151.53 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.4 tp -99.81 106.54 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -54.53 -39.19 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.64 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HG3' HD23 ' A' ' 19' ' ' LEU . 12.9 mt-30 -126.36 92.44 45.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.6 Cg_endo -69.75 -9.18 25.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -96.53 -33.33 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 149.97 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.143 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.6 67.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -73.41 140.47 46.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -105.72 159.08 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.15 123.29 68.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 tp -108.52 125.97 52.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -113.89 94.67 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -64.25 152.44 88.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 46.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.43 68.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.11 -31.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 42' ' ' LEU . 25.3 m-85 -58.98 141.57 53.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.7 m -92.99 127.77 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.6 mm -36.15 -49.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -42.2 -52.07 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.7 t80 -41.8 -65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.6 mt -46.2 -57.43 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.22 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' LEU . 24.9 mt-30 -88.26 -49.64 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.4 mp -59.6 -38.77 82.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.57 -56.29 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.43 -31.78 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.19 -31.63 46.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -80.52 -28.13 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.67 29.39 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -51.28 -16.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.49 -33.48 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -113.11 -51.79 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.015 HG13 HG21 ' A' ' 68' ' ' ILE . 2.9 t -87.74 114.27 58.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -142.06 151.19 58.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.556 ' HA ' HD11 ' A' ' 68' ' ' ILE . 53.1 Cg_endo -69.8 -24.63 29.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -77.84 -26.52 49.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.06 18.23 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.015 HG21 HG13 ' A' ' 62' ' ' VAL . 2.4 pp -144.93 172.0 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -136.34 152.59 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -103.85 126.45 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.94 132.93 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 81.7 t80 -141.84 138.04 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.463 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 3.9 m 56.94 25.14 10.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 16.57 78.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -140.45 130.26 24.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -62.01 141.85 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 72' ' ' TYR . 34.7 mt -103.26 129.47 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -96.47 161.42 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.68 5.8 10.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -90.95 -17.41 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.585 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 3.9 mp0 -109.69 -177.5 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -131.55 -179.5 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.84 -46.03 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -45.21 79.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' HG2' ' A' ' 81' ' ' GLN . 21.9 t80 -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -92.91 -21.83 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.92 36.51 11.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 22.1 mt -69.91 151.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 24.1 mp0 -119.57 151.28 51.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.3 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.58 7.23 13.83 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.89 -178.66 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.623 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.4 m -134.96 134.86 40.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -104.33 168.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 94.8 m-70 -131.18 131.48 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 t -97.39 125.17 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -107.7 126.55 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' HG22 ' A' ' 68' ' ' ILE . 5.3 mmm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -48.21 -47.55 35.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -45.21 -60.38 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.54 -160.77 14.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 t -102.53 106.54 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -140.41 134.19 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.9 85.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -66.02 170.83 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.0 m -117.32 159.2 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -86.97 128.66 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.3 p -93.88 163.43 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.89 -53.28 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.1 t-105 -59.36 124.78 21.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -129.06 158.98 37.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.58 152.3 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -99.4 141.87 31.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 58' ' ' LEU . 80.7 t -125.49 124.88 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.64 136.4 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HG3' ' A' ' 22' ' ' GLN . 14.8 tp -82.3 108.64 15.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -57.7 -35.75 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -67.57 -25.46 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' HG3' HD23 ' A' ' 19' ' ' LEU . 36.4 mt-30 -134.09 88.1 32.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.8 Cg_endo -69.81 -7.82 22.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -93.75 -28.71 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 148.56 60.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.87 41.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' NZ ' HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -68.58 139.55 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -106.14 156.9 17.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.946 HG22 ' OE1' ' A' ' 31' ' ' GLN . 47.4 mm -106.24 120.39 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 53' ' ' LEU . 7.6 tp -105.55 116.79 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.946 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.1 mp0 -102.85 102.37 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.1 pp -71.19 152.85 94.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.7 173.78 10.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -84.1 160.89 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 37' ' ' LEU . 14.7 t -117.73 157.18 26.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -50.72 -23.53 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' H ' HG23 ' A' ' 35' ' ' THR . 1.3 mm? -78.63 179.89 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.8 -148.5 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -24.95 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -43.3 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' TYR . 39.7 t -34.86 111.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 45' ' ' TYR . 55.0 mt -38.87 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 43.86 56.76 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -30.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.6 m-85 -53.38 155.79 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.1 m -114.49 129.8 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.4 mm -36.64 -53.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ILE . 6.2 t -34.58 -51.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.3 t80 -50.6 -58.19 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 54' ' ' ILE . 12.9 mt -49.83 -52.11 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -45.95 -22.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.56 -54.46 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.76 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -50.07 -55.33 15.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 HD22 ' A' ' 50' ' ' LEU . 3.5 mp -57.94 -50.21 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 -23.31 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.17 -25.59 51.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -90.49 -35.49 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD11 ' CG1' ' A' ' 17' ' ' VAL . 15.2 mt -91.02 21.82 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -50.25 -17.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.62 -36.02 82.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -116.04 -44.53 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 68' ' ' ILE . 43.9 t -73.46 121.59 85.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.28 155.63 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.56 34.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.84 -29.68 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.38 19.27 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -139.59 -175.39 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -154.73 170.4 21.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.7 tp -117.26 134.71 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 12.6 mm -119.67 128.24 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.737 ' HB3' HD21 ' A' ' 77' ' ' LEU . 70.9 t80 -137.26 140.6 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 32.2 t 58.24 27.18 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.43 16.41 80.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -142.46 138.94 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -62.37 157.42 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.9 mt -119.07 120.4 37.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.62 164.98 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.24 6.72 28.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -110.26 10.65 23.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.49 173.54 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -129.73 163.33 26.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -59.87 -35.23 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.78 -32.77 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.1 -45.99 86.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -84.01 -30.95 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.99 16.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.53 144.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -130.09 158.75 73.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.54 -22.07 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -67.93 -179.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.6 m -134.58 126.31 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 70' ' ' LEU . 17.7 m -102.23 166.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.06 135.98 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.3 t -91.93 135.9 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -128.9 129.04 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.632 ' N ' HD13 ' A' ' 97' ' ' LEU . 45.7 mtm180 -82.31 132.03 35.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.72 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -152.46 177.86 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.404 ' CD2' ' N ' ' A' ' 102' ' ' SER . 17.5 t-105 -84.93 152.05 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.404 ' N ' ' CD2' ' A' ' 101' ' ' TRP . 2.1 t -43.39 -67.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.474 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 169.95 -60.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 54.4 Cg_endo -69.75 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.411 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.0 m -49.37 127.72 15.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -167.36 120.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -50.82 -49.29 58.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -87.8 176.61 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.56 93.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.434 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -118.48 94.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -158.67 160.18 36.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.81 140.17 10.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtt -109.85 128.47 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -109.79 -179.37 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 10' ' ' LEU . 6.6 mp -113.74 165.56 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.2 m -156.46 178.39 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -119.49 -64.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 3.2 t-105 -61.55 124.6 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -130.75 159.15 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -143.01 155.97 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 92' ' ' SER . . . -102.93 150.08 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -139.63 141.92 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -136.62 125.16 23.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.809 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.7 tp -68.38 109.28 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -54.3 -37.85 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.8 -24.55 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.809 ' HG3' HD23 ' A' ' 19' ' ' LEU . 12.0 mt-30 -132.85 84.85 48.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.81 14.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.13 -27.01 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.0 154.14 2.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.49 16.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 24.2 ttpt -44.68 140.57 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -79.26 128.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 54' ' ' ILE . 14.3 tp -109.28 150.56 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -130.62 102.7 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 2.8 pp -71.9 152.19 93.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 106.78 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.647 2.232 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -54.06 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.955 HG21 ' CE1' ' A' ' 40' ' ' TYR . 13.9 p -102.57 166.37 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -96.14 -24.69 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.8 mm? -86.8 14.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.16 119.4 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -41.46 126.13 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.955 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.7 -174.96 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 71.4 p -58.34 86.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' SER . 32.1 mt -34.11 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.27 60.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.55 -31.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -55.88 136.13 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.7 m -96.48 131.93 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.8 mm -34.49 -53.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -39.46 -51.55 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 53' ' ' LEU . 11.1 t80 -43.91 -64.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.39 -51.74 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -47.42 -20.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -90.58 -51.75 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.5 mp -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.629 HG13 HD22 ' A' ' 30' ' ' LEU . 3.1 mp -65.38 -54.63 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.31 -18.26 67.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -99.82 -31.97 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.14 27.52 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.24 -17.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.88 -34.2 77.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -42.22 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.846 HG13 HG21 ' A' ' 68' ' ' ILE . 3.2 t -89.45 120.32 69.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.97 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.69 150.98 31.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.815 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -22.44 32.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.07 -35.04 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.46 11.05 6.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.846 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -140.34 161.22 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.02 175.61 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' O ' HD13 ' A' ' 71' ' ' ILE . 13.1 tp -116.78 138.44 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 70' ' ' LEU . 26.4 mm -123.92 126.67 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.782 ' HD1' HG12 ' A' ' 94' ' ' VAL . 59.5 t80 -141.16 146.45 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.0 t 52.14 29.34 6.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 27.09 71.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -149.82 140.72 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.04 139.79 54.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD22 ' CE2' ' A' ' 86' ' ' TYR . 23.5 mt -101.29 128.77 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -90.57 161.47 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -73.84 -2.12 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.71 3.31 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -111.12 157.36 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' LEU . 33.3 p -124.35 151.34 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.3 mm? -35.85 -44.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.11 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.2 t80 -41.65 -49.95 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.651 ' CE2' HD22 ' A' ' 77' ' ' LEU . 33.0 m-85 -85.45 -26.43 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.12 30.96 18.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.12 129.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -101.62 155.25 36.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 96.46 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.24 -26.67 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.3 p -49.82 178.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -129.19 123.52 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 ' HD1' ' A' ' 72' ' ' TYR . 9.3 m -113.57 150.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -110.07 139.94 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 21.9 t -102.2 130.18 52.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -121.57 118.36 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.573 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.2 ptt85 -78.87 143.39 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -65.96 141.72 58.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.9 t -83.11 -52.82 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 102' ' ' SER . 6.9 t90 -77.87 154.09 32.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.569 ' O ' ' CE3' ' A' ' 101' ' ' TRP . 67.9 m -47.89 167.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.38 139.53 15.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 53.5 Cg_endo -69.82 -28.32 25.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -40.55 104.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.5 m -118.49 87.04 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -123.01 132.88 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -55.97 146.12 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 150.4 -110.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 47.8 p 36.46 41.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -82.56 158.77 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.38 65.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.11 40.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -125.32 112.85 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 10' ' ' LEU . 3.9 mm? -66.92 170.58 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -73.69 159.62 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.65 -52.52 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 4.8 t-105 -82.13 124.71 30.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -131.0 167.05 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -151.76 160.84 43.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.32 154.57 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 58' ' ' LEU . 98.9 t -131.49 131.45 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 5.3 mmmm -130.9 147.7 52.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -97.4 124.1 41.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.14 -30.75 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -127.26 90.03 50.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.7 -31.54 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.69 149.83 1.39 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.74 40.9 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -66.66 150.97 48.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -129.34 140.66 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -100.88 133.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 53' ' ' LEU . 12.2 tp -111.86 124.68 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.84 104.13 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 32' ' ' LEU . 3.2 pp -74.05 152.02 88.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 119.7 6.61 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.86 154.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 38' ' ' GLY . 4.9 t -112.18 154.15 25.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.73 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.87 -49.6 67.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' H ' HG23 ' A' ' 35' ' ' THR . . . 151.22 -169.84 30.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -95.02 -29.88 14.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -42.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LEU . 46.7 t -34.54 95.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' TYR . 10.1 mt -34.64 -56.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.78 76.69 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.56 -40.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -48.65 139.01 10.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -91.34 127.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -42.19 -42.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -42.94 -52.9 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.699 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.2 t80 -46.6 -63.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -46.97 -54.28 10.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.25 -45.74 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -57.59 -49.6 75.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 30' ' ' LEU . 3.3 mp -60.37 -54.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.78 -24.32 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -18.28 68.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HG3' HD12 ' A' ' 30' ' ' LEU . 28.8 mmtt -98.12 -32.19 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 17' ' ' VAL . 16.1 mt -96.47 22.8 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -45.95 -21.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' SER . 9.6 pt-20 -55.95 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.0 m -112.91 -39.88 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.761 HG13 HG21 ' A' ' 68' ' ' ILE . 96.0 t -81.57 112.2 32.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 143.6 41.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.8 -11.81 31.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.98 -30.32 14.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.93 20.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -140.38 163.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -129.16 155.65 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -107.43 134.97 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mm -119.03 134.48 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.709 ' HB3' HD21 ' A' ' 77' ' ' LEU . 64.4 t80 -139.16 135.56 34.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 m 56.51 27.11 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.18 20.01 76.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -145.08 126.84 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.44 153.34 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 72' ' ' TYR . 11.4 mt -118.3 128.21 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -79.93 156.95 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.2 p30 -77.12 -0.43 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -96.75 -9.16 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.521 ' HG3' ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -94.37 176.52 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -136.16 161.86 34.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -47.11 -42.98 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -67.65 -51.35 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CG ' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -34.87 -49.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.58 -26.03 17.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.64 26.74 31.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.9 mt -50.4 139.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 18.7 mp0 -103.0 150.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.26 23.21 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 p -98.16 -179.75 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -134.68 127.38 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.11 174.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 93.5 m-70 -142.06 131.52 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.3 t -93.43 140.8 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -126.73 124.65 40.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.627 ' N ' HD13 ' A' ' 97' ' ' LEU . 5.8 mmt85 -68.15 130.3 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.75 -60.7 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -148.26 178.95 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -65.36 149.45 49.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -60.01 -73.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.45 83.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.617 2.211 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 t -70.04 -57.17 5.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 t -81.25 144.86 31.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -150.52 137.98 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -53.43 135.17 39.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.42 -109.14 3.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -56.55 101.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 p -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.1 -91.46 0.51 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ptm -156.93 167.46 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -46.91 166.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mp -88.35 -65.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 p -68.13 137.29 54.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.26 -50.54 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.581 ' NE1' HD21 ' A' ' 32' ' ' LEU . 3.9 t-105 -56.66 128.95 38.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -131.45 159.43 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 tp -149.71 155.92 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -96.84 155.28 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.617 HG11 HD21 ' A' ' 58' ' ' LEU . 44.9 t -137.86 134.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -140.21 125.18 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.09 126.68 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -29.44 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.29 -31.39 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.41 88.11 51.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.43 16.18 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.83 -29.03 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.62 154.12 4.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.079 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 166.28 28.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.658 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 10.1 ttmm -88.48 155.45 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -127.57 115.26 18.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.83 114.43 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' LEU . 9.6 tp -103.57 145.44 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -130.58 98.54 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 42' ' ' LEU . 4.4 pp -64.2 150.37 92.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.94 69.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.11 161.2 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -112.6 168.44 9.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.81 76.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' GLY . 4.2 mm? -69.75 92.24 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' LEU . . . 35.26 -153.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -124.7 -20.2 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -47.58 175.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' TYR . 4.4 t -36.38 112.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.809 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 32' ' ' LEU . 16.7 mt -42.25 -62.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.13 69.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.42 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.459 ' CE1' HD13 ' A' ' 42' ' ' LEU . 7.9 m-85 -53.8 150.33 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.5 m -104.26 139.23 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 77' ' ' LEU . 37.7 mm -46.29 -47.7 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -39.69 -47.53 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -50.19 -64.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -45.91 -56.84 4.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 62.6 mttt -40.6 -24.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . 14.3 mt-30 -85.98 -46.51 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 5.2 mp -59.22 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -55.42 -52.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -45.94 -32.47 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.55 -31.28 30.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -74.38 -30.36 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 17' ' ' VAL . 13.2 mt -100.3 24.86 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -48.37 -19.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.11 -38.32 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.93 -44.37 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.721 HG13 HG21 ' A' ' 68' ' ' ILE . 94.1 t -75.52 114.94 41.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' NH1' ' A' ' 98' ' ' ARG . 53.3 Cg_endo -69.77 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.61 154.07 47.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.7 36.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.19 -24.51 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 mt -92.38 21.29 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.721 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -142.37 -179.72 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.19 154.03 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.89 129.82 48.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.1 mm -115.79 125.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.875 ' HB3' HD21 ' A' ' 77' ' ' LEU . 82.0 t80 -133.29 135.21 44.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 5.5 t 56.55 27.35 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.64 19.72 75.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -142.94 132.37 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -62.11 153.9 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 72' ' ' TYR . 13.5 mt -114.34 129.78 56.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -81.89 158.71 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -1.17 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.92 4.2 42.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -108.1 177.53 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -136.68 165.26 26.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -53.82 -54.17 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -37.24 80.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 5.1 t80 -51.37 -49.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.83 -28.11 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.85 15.11 29.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 83' ' ' LEU . 27.4 mt -59.3 151.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -137.72 158.48 71.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 81.04 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.98 -26.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 m -66.27 -176.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 m -134.51 132.72 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -113.28 154.05 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -118.84 134.89 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.25 129.24 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -115.92 126.96 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 mmm180 -77.97 124.39 27.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -53.46 -46.53 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -54.34 124.43 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 104' ' ' PRO . 11.6 t-105 -84.77 133.3 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' TRP . 58.7 m -35.35 -59.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.19 77.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 101' ' ' TRP . 53.8 Cg_endo -69.75 100.19 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.9 t -72.92 81.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -79.79 129.98 34.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -147.74 174.17 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -80.44 169.96 17.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.44 118.22 4.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -60.63 140.98 57.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -90.3 104.58 17.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.46 -39.44 2.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpt -85.4 117.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -86.49 167.92 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -112.7 -64.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 p -120.14 173.26 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -105.61 -48.22 3.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.4 t-105 -69.49 126.72 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -131.86 143.36 50.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.52 156.45 46.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.7 155.27 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.26 139.05 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 18.7 mmmt -136.55 140.45 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 4.8 tp -88.47 110.73 21.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -59.85 -31.34 69.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.12 -36.51 84.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 39.0 mt-30 -128.07 94.48 36.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.739 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.5 Cg_endo -69.78 -4.23 13.61 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.02 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -49.65 156.15 1.25 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.9 Cg_endo -69.71 151.59 69.41 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.08 147.3 34.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 m -126.31 117.01 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -82.86 124.64 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.915 HD21 ' CB ' ' A' ' 53' ' ' LEU . 13.7 tp -105.09 121.65 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.87 98.93 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.9 pp -66.8 150.33 97.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.54 4.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -46.81 158.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -115.72 142.79 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -39.91 -27.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' THR . 1.9 mm? -53.17 -54.86 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.7 -176.7 29.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -85.37 -36.4 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.1 161.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' TYR . 69.1 p -34.21 109.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 39.3 mt -49.23 -62.19 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.76 77.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.63 -28.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.5 m-85 -54.24 157.54 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 p -110.07 127.33 54.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 77' ' ' LEU . 51.5 mm -38.04 -41.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -45.45 -55.35 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' HD11 ' A' ' 53' ' ' LEU . 11.3 t80 -45.05 -63.48 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.0 mt -45.88 -56.21 5.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -40.02 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 50' ' ' LEU . 23.5 mt-30 -86.81 -43.65 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.915 ' CB ' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -58.98 -45.15 91.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.77 HG13 HD22 ' A' ' 30' ' ' LEU . 4.6 mp -68.32 -64.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.48 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.52 -25.27 65.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -94.25 -24.16 17.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 mt -102.29 29.71 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -52.17 -16.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.83 -32.65 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.4 -48.04 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.111 HG13 HG21 ' A' ' 68' ' ' ILE . 4.6 t -83.95 116.99 67.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.03 150.63 39.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.82 33.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.69 -30.32 15.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.51 15.96 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.111 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -137.97 176.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -139.04 154.43 48.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 77' ' ' LEU . 15.6 tp -107.26 124.96 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.7 mm -112.35 129.52 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.872 ' HB3' HD21 ' A' ' 77' ' ' LEU . 71.4 t80 -140.46 142.79 35.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 5.9 m 51.98 28.79 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.52 70.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -151.82 132.66 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.95 153.63 20.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' A' ' 72' ' ' TYR . 9.7 mt -116.01 116.45 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -71.81 157.71 37.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.13 -3.42 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -96.29 -0.46 49.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.528 ' CD ' ' CE1' ' A' ' 85' ' ' PHE . 33.6 mm-40 -109.02 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 p -128.45 178.06 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -61.8 -53.29 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.98 -42.52 99.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' ' CD ' ' A' ' 81' ' ' GLN . 38.0 t80 -47.97 -36.54 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -94.52 -31.98 13.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 98.88 46.03 2.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 72' ' ' TYR . 28.8 mt -97.42 145.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 111.179 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.66 160.52 60.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.12 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.56 -22.35 2.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -67.18 177.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 m -130.44 129.65 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 m -106.26 156.71 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 87.8 m-70 -121.98 126.82 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.2 t -86.65 152.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -135.6 117.94 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.614 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.7 mtm180 -70.81 133.32 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -74.26 106.5 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -94.83 102.84 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.408 ' NE1' ' HB2' ' A' ' 102' ' ' SER . 1.8 p90 -102.87 -35.3 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.408 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 13.6 m -155.86 -176.97 6.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -117.67 83.1 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 158.83 55.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.7 p -160.61 175.04 13.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -84.82 147.99 26.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.47 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -119.88 147.29 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.15 -158.58 27.25 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -154.44 143.03 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -137.53 126.97 24.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.43 93.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 mtm -72.49 -52.86 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -162.28 162.96 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 10' ' ' LEU . 3.1 mp -120.28 133.59 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 p -105.33 -175.8 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -128.62 -35.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t-105 -67.45 122.27 17.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -131.19 164.43 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.56 161.0 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -101.57 152.07 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 58' ' ' LEU . 96.2 t -134.73 133.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.7 129.7 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' HG3' ' A' ' 22' ' ' GLN . 9.5 tp -77.11 109.8 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.02 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.99 -32.38 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.655 ' HG3' HD23 ' A' ' 19' ' ' LEU . 10.1 mt-30 -128.02 92.94 40.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.38 18.46 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.05 -27.41 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.3 148.4 23.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.687 . . . . 0.0 111.162 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.14 66.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HE2' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -74.62 147.04 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -121.15 152.63 38.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HE2' ' A' ' 27' ' ' LYS . 21.5 mm -112.21 124.34 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 54' ' ' ILE . 18.7 tp -104.35 152.05 22.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -132.22 97.83 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' PRO . 3.9 pp -68.82 151.42 97.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.803 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 172.18 13.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 35' ' ' THR . 35.0 tt0 -75.76 157.56 33.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 15.3 t -114.34 169.33 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.582 ' HG3' HD22 ' A' ' 37' ' ' LEU . 5.9 pt-20 -50.35 -41.96 52.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD22 ' HG3' ' A' ' 36' ' ' GLU . 2.9 mm? -63.69 -72.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.0 -135.86 3.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.44 -34.26 3.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -52.4 -16.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' HD23 ' A' ' 42' ' ' LEU . 2.6 m -175.29 148.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD11 ' CD2' ' A' ' 13' ' ' TRP . 1.6 mt -114.27 -65.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.88 86.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.24 -23.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 82' ' ' THR . 23.7 m-85 -62.18 131.95 51.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ILE . 17.8 m -88.07 130.5 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 20.4 mm -37.56 -42.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.2 -54.89 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.548 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.8 t80 -40.79 -64.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -47.01 -57.86 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -43.79 -22.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 20.3 mt-30 -90.33 -43.36 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.0 mp -63.43 -58.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 50' ' ' LEU . 4.6 mp -55.26 -50.0 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.22 -25.19 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.15 -23.56 56.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.8 mmmp? -87.65 -33.54 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 17' ' ' VAL . 9.6 mt -98.55 26.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -49.35 -18.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.98 -35.93 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -113.44 -41.24 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 68' ' ' ILE . 66.7 t -76.84 115.45 48.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' CD ' ' HD3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.01 144.95 31.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.77 -11.44 30.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.0 -33.41 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' C ' ' HG3' ' A' ' 99' ' ' LYS . 35.0 mt -83.79 22.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.676 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -135.88 153.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.89 157.15 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.69 129.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.31 131.77 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' HB3' HD21 ' A' ' 77' ' ' LEU . 84.8 t80 -142.73 140.89 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.8 m 53.48 27.64 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.02 20.38 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.61 128.88 21.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 3.4 tmmm? -65.56 146.64 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.0 mt -110.5 124.47 51.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -73.19 165.67 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.92 0.28 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -95.58 -13.29 24.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -95.01 176.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 45' ' ' TYR . 8.7 p -134.03 170.65 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.62 -42.17 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.03 -45.09 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -47.71 -39.11 16.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -94.57 -25.09 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.13 39.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 17.5 mt -60.45 154.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 47.2 mm-40 -120.83 149.52 50.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.74 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.75 5.15 16.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.1 m -93.18 177.41 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.463 HG23 ' CB ' ' A' ' 16' ' ' ALA . 3.4 m -130.63 129.97 43.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.34 161.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -118.62 145.53 45.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 125.9 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.3 124.69 51.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.605 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.0 mtm180 -79.1 127.9 32.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 67' ' ' LEU . 1.9 ptpt -93.23 49.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 m -159.19 169.38 24.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 102' ' ' SER . 8.7 p90 -119.32 -48.64 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 33.7 t -120.51 -50.37 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.43 67.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.72 -1.52 8.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 m -84.17 177.7 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.2 p -110.89 153.71 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -141.22 166.6 24.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.811 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -109.02 -54.82 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.58 -63.5 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -102.09 89.9 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -95.76 142.61 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.6 92.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt -78.84 124.95 28.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -121.36 155.59 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.49 171.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' LEU . 20.5 t -69.97 -176.87 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -96.72 -44.96 6.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.7 t-105 -64.41 129.69 40.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -127.78 158.37 37.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.804 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.27 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -95.46 148.91 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.34 136.81 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -140.47 137.1 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -87.03 114.27 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -63.25 -22.58 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -79.04 -32.46 44.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -127.38 88.77 53.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.46 -30.31 13.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.39 150.85 11.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.048 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.09 59.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -70.79 156.42 39.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -129.2 140.28 51.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -95.88 124.06 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.7 tp -109.37 135.11 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -121.74 104.71 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 pp -73.14 150.08 89.76 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.69 168.03 22.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -74.73 146.53 42.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 38' ' ' GLY . 6.7 t -100.38 160.17 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.55 -32.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.97 -74.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' H ' HG23 ' A' ' 35' ' ' THR . . . 176.51 -138.51 4.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.73 -29.11 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -16.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 t -175.08 126.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' GLY . 1.2 mt -94.69 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.99 60.91 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -35.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 25.2 m-85 -54.32 132.79 44.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 3.2 m -85.36 134.52 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.1 mm -37.78 -50.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -43.69 -48.22 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 53' ' ' LEU . 12.1 t80 -42.27 -61.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.2 mt -46.92 -57.28 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.06 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.3 mt-30 -84.94 -48.14 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.666 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.3 mp -59.38 -47.78 84.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 96' ' ' VAL . 2.6 mp -64.55 -41.8 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -62.55 -19.96 64.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.18 -24.43 40.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -93.05 -29.46 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -98.57 25.43 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.5 -15.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.7 -33.88 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -118.35 -48.52 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG13 HG21 ' A' ' 68' ' ' ILE . 76.5 t -67.56 116.37 36.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 151.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.76 -20.86 34.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -88.92 -29.26 19.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -85.68 12.84 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -134.97 167.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -135.58 167.97 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.4 tp -114.18 136.64 52.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 76' ' ' LYS . 37.7 mm -119.86 128.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.62 ' HB3' HD21 ' A' ' 77' ' ' LEU . 44.6 t80 -137.93 135.87 36.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.9 t 60.72 28.15 17.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.27 23.97 72.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -152.85 137.11 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.0 ttmp? -66.82 159.57 27.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 6.5 mt -119.41 126.48 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -64.13 161.23 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -2.81 55.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.8 4.12 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -107.12 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -126.33 167.71 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.78 -47.67 64.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -67.25 -44.28 79.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.04 -43.55 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.88 -26.33 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.31 28.22 20.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.3 mt -59.47 128.97 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -93.65 151.09 39.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.81 8.77 12.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.5 m -96.15 173.08 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.8 m -124.48 140.07 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -115.33 139.3 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -106.38 135.39 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 54' ' ' ILE . 41.0 t -96.55 138.12 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.5 tm? -127.86 120.9 28.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 97' ' ' LEU . 39.5 mtm180 -68.29 134.21 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -62.33 -57.56 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.4 t 46.33 46.13 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 102' ' ' SER . 5.5 t90 -143.15 155.77 44.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 53.8 m -33.62 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.98 131.45 4.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.531 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.81 -4.91 15.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 m -41.96 152.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.3 t -115.51 42.63 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -146.96 165.33 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -144.5 170.13 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -43.23 9.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -131.31 175.81 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -60.63 163.27 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 45.75 3.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.1 mtm -130.82 102.6 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -147.08 160.39 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.89 -46.47 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 24.9 p -57.61 -15.57 7.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . 1.4 m-20 32.86 51.82 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.548 ' NE1' HD21 ' A' ' 32' ' ' LEU . 2.5 t-105 -68.12 124.24 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . 4.5 p80 -131.84 154.59 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.86 152.99 49.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -91.1 127.28 36.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.2 t -112.3 132.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -129.39 129.83 45.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.34 104.69 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -53.4 -35.76 60.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.75 -39.77 85.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 53.3 mt-30 -128.06 98.96 25.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.7 Cg_endo -69.75 -7.43 21.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.87 -30.86 12.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.31 149.63 0.94 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 143.07 49.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 5.0 ttpm? -67.53 141.6 56.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -122.12 112.57 18.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 14' ' ' HIS . 38.7 mm -74.48 130.83 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 54' ' ' ILE . 10.1 tp -108.92 150.78 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 40.6 mt-30 -127.42 110.53 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.2 pp -86.58 149.74 49.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 179.87 3.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 163.6 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -123.21 172.32 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.45 -40.59 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.3 mm? -60.15 -73.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.33 6.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.543 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 11' ' ' SER . 1.0 OUTLIER -113.27 -41.32 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' N ' ' HG2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -36.45 -40.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -168.02 123.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 mt -73.9 -67.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.74 71.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.04 -26.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 10.5 m-85 -61.23 130.11 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.995 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' ILE . 2.6 m -81.21 126.58 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.516 HG22 ' HD2' ' A' ' 51' ' ' LYS . 42.5 mm -33.57 -50.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -51.52 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.736 ' O ' HD12 ' A' ' 53' ' ' LEU . 46.9 t80 -43.68 -52.64 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 83' ' ' LEU . 16.7 mt -60.47 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD2' HG22 ' A' ' 47' ' ' ILE . 13.1 mtpt -48.6 -18.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -89.16 -46.83 8.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.4 mp -60.85 -50.72 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 50' ' ' LEU . 4.4 mp -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -55.8 -35.51 66.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.11 -25.82 67.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.71 -30.28 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.49 26.88 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -49.98 -18.92 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.05 -39.86 91.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -114.25 -41.86 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 68' ' ' ILE . 54.9 t -75.06 118.53 71.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.01 151.64 45.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.75 -13.05 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -93.07 -28.25 16.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.42 21.66 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -141.95 172.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -143.71 172.83 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -118.54 136.18 53.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -120.52 131.84 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.775 ' HD2' HG12 ' A' ' 94' ' ' VAL . 60.5 t80 -142.72 150.02 39.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.7 t 45.29 38.64 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.4 35.98 91.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.7 ptm85 -158.98 141.51 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -68.58 147.1 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 72' ' ' TYR . 39.2 mt -106.51 116.53 32.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -78.06 161.41 27.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -78.94 -6.35 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.35 24.5 3.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 mp0 -138.27 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -123.78 167.76 13.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 50' ' ' LEU . 1.9 mm? -54.59 -40.81 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.79 -53.98 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' GLN . 90.0 t80 -41.08 -40.31 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' HD2' HD11 ' A' ' 47' ' ' ILE . 9.9 m-85 -85.17 -31.09 23.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 94.41 45.86 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.13 144.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -130.7 160.57 65.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 80.93 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.74 -20.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -66.97 177.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.439 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -126.17 123.83 39.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.7 m -108.43 157.78 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -118.32 125.6 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.567 ' CG2' HG21 ' A' ' 54' ' ' ILE . 51.7 t -87.25 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -136.46 117.65 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 ptt180 -82.89 135.58 34.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -58.48 -55.25 37.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' TRP . 30.0 t 63.06 41.53 8.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.513 ' CG ' ' N ' ' A' ' 102' ' ' SER . 6.6 p-90 -36.92 -46.23 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 0.9 OUTLIER -170.13 172.67 6.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.07 74.07 0.3 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 149.1 66.52 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.706 2.27 . . . . 0.0 112.342 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.0 p -86.0 143.75 27.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.5 p -81.03 -49.01 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -130.81 146.46 52.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -67.28 106.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.02 88.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -162.77 155.71 19.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -169.28 126.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 97.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 mmt -141.34 125.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -132.27 -175.44 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -101.2 107.97 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -95.58 157.9 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -90.73 -50.65 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.539 ' CH2' ' HD3' ' A' ' 90' ' ' PRO . 6.8 t-105 -83.12 123.24 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -127.32 153.45 46.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.39 152.83 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -93.14 149.77 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -130.75 132.77 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -134.29 145.96 49.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 22' ' ' GLN . 2.1 tp -95.01 126.09 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -76.31 -16.67 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -89.91 -26.17 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.478 ' N ' HD23 ' A' ' 19' ' ' LEU . 34.2 mt-30 -131.93 85.68 50.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.87 19.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.66 -26.16 15.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.51 149.26 51.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.65 36.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 6.9 ttpm? -61.13 154.97 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -129.65 134.22 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.7 131.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.685 HD22 HG13 ' A' ' 54' ' ' ILE . 14.8 tp -111.68 136.05 51.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.4 98.22 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.9 pp -73.25 152.22 90.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.31 4.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.59 165.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.98 149.84 43.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -42.89 -32.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 37' ' ' LEU . 2.5 mm? -62.53 173.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.74 -141.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.8 -27.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -43.49 166.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' LEU . 87.1 p -36.33 105.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . 29.6 mt -35.11 -45.56 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.89 71.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.91 -36.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.0 m-85 -56.13 147.73 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -102.93 136.28 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.39 -48.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 t -39.73 -52.15 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.769 ' CE2' HD11 ' A' ' 53' ' ' LEU . 24.8 t80 -49.39 -60.23 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -46.14 -58.59 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -42.32 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' LEU . 17.4 mt-30 -84.58 -49.92 8.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -55.85 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.685 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -55.94 -48.4 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -29.5 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.43 76.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -95.95 -40.82 9.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' GLU . 13.8 mt -70.49 -0.49 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -31.66 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt-20 -43.41 -51.59 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -112.38 -33.53 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.88 116.01 56.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.88 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -150.6 156.38 36.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.55 34.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -86.27 -28.17 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.74 8.54 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.7 pp -140.91 153.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' CG ' ' HB3' ' A' ' 97' ' ' LEU . 2.1 p30 -117.61 173.29 6.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' HD13 ' A' ' 71' ' ' ILE . 7.0 tp -113.71 132.07 55.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' LEU . 27.5 mm -121.45 127.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.821 ' HB3' HD21 ' A' ' 77' ' ' LEU . 12.5 t80 -142.44 144.86 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 42.2 t 51.64 34.73 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.79 33.05 86.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -160.22 129.96 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -55.11 151.6 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 72' ' ' TYR . 19.4 mt -112.42 111.15 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -63.06 163.14 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.73 2.59 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -101.3 -4.38 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -97.4 -177.97 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -138.13 164.52 28.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -51.48 -39.9 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -50.37 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -43.16 -34.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD2' HD22 ' A' ' 77' ' ' LEU . 18.4 m-85 -97.97 -28.49 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.71 48.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.5 mt -52.4 147.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -134.29 161.39 64.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.539 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.7 3.04 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.31 -3.47 19.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m -89.6 174.55 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 85.8 m -130.47 130.54 44.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.559 HG12 ' HD2' ' A' ' 72' ' ' TYR . 8.0 m -106.38 137.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -97.29 145.76 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 52.8 t -105.11 148.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -123.46 135.88 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' HD13 ' A' ' 97' ' ' LEU . 24.5 mmm-85 -96.53 102.01 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -49.44 158.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 m -110.07 -37.77 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.525 ' CZ2' ' HD3' ' A' ' 104' ' ' PRO . 8.5 t-105 -127.69 133.51 49.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' TRP . 59.0 m -37.08 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.8 77.92 1.35 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.525 ' HD3' ' CZ2' ' A' ' 101' ' ' TRP . 53.8 Cg_endo -69.75 160.25 50.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.1 p -95.66 140.33 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.2 m -103.56 173.66 6.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t -64.47 108.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.831 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -138.76 142.46 38.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.13 41.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -97.94 108.78 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -60.74 -45.37 94.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 144.8 -177.06 23.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -35.63 147.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 m -52.38 109.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -86.32 157.4 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -107.01 149.0 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.34 -48.58 11.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.523 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.0 t-105 -83.14 128.83 34.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -130.64 153.01 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.65 156.01 44.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.65 146.73 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.99 134.13 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -135.38 129.51 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 22' ' ' GLN . 3.8 tp -79.57 113.29 17.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.51 84.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.26 -35.24 79.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.591 ' HB2' HD23 ' A' ' 19' ' ' LEU . 40.1 mt-30 -125.18 91.01 49.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.3 32.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -92.62 -27.41 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.92 153.01 4.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.36 68.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.03 155.14 38.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -131.97 125.45 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.43 119.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.8 tp -102.99 130.33 50.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -110.56 99.77 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.85 153.23 95.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.36 27.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 174.0 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.444 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 35.2 p -114.93 138.98 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.05 -31.77 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.15 -60.02 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.06 173.69 36.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' TYR . 9.6 pt-20 -66.59 -30.71 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -36.59 154.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' TYR . 3.5 m -34.4 112.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 19.9 mt -35.5 -69.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.88 81.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.73 -31.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' CG2' ' A' ' 35' ' ' THR . 13.4 m-85 -52.72 135.87 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.3 p -88.73 126.55 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.9 mm -35.69 -37.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -49.63 -53.12 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 11.5 t80 -43.82 -62.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -47.03 -57.61 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -43.21 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.4 mt-30 -89.09 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -52.85 -54.5 33.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 96' ' ' VAL . 4.4 mp -58.37 -53.3 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.17 -35.94 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -27.08 70.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -88.28 -30.76 19.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -101.36 28.81 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.55 -16.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.7 pt-20 -66.03 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.7 m -115.67 -43.02 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 63.9 t -76.83 119.78 78.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -150.2 149.36 26.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.66 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.88 -26.08 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.96 20.12 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.8 pp -141.55 169.85 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -138.64 -179.31 5.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.9 tp -125.25 137.71 54.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -120.29 132.24 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.789 ' HD2' HG12 ' A' ' 94' ' ' VAL . 55.4 t80 -142.83 143.77 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.448 ' HG ' ' HG2' ' A' ' 75' ' ' ARG . 1.5 p 49.71 25.77 1.61 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.88 59.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG2' ' HG ' ' A' ' 73' ' ' CYS . 1.8 ptp180 -147.85 132.59 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 128.45 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 7.5 mt -94.25 114.58 26.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 81' ' ' GLN . 14.8 pttt -64.45 176.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.31 9.37 38.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -105.1 -1.11 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.679 ' NE2' ' CD1' ' A' ' 85' ' ' PHE . 7.7 mm100 -102.42 172.18 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' LEU . 8.8 p -129.64 150.13 51.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.9 mm? -37.46 -40.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.91 -49.79 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.679 ' CD1' ' NE2' ' A' ' 81' ' ' GLN . 5.1 t80 -41.35 -41.63 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 15.6 m-85 -89.55 -24.39 21.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.03 23.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.9 130.23 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -106.3 154.69 39.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.75 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.57 -13.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.5 p -71.26 -175.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -127.06 132.46 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.789 HG12 ' HD2' ' A' ' 72' ' ' TYR . 30.9 m -120.7 128.04 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.93 133.1 35.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 54' ' ' ILE . 25.2 t -97.38 130.64 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -124.13 119.44 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.534 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.5 ptt-85 -84.07 142.62 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -74.14 124.02 25.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.1 m -89.22 97.57 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 104' ' ' PRO . 33.0 t90 -165.8 161.62 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 5.7 t -53.33 177.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.88 113.32 3.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 101' ' ' TRP . 54.0 Cg_endo -69.75 -15.31 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 104' ' ' PRO . 19.1 m -34.62 112.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.6 t -75.58 158.74 32.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -62.84 126.09 26.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 p -114.14 133.0 55.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 128.96 9.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -87.81 144.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -104.74 -50.61 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 111.89 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttp -87.86 158.58 18.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -48.51 173.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -102.6 145.93 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 t -115.28 150.87 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -84.71 -44.56 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 2.0 t-105 -73.38 126.72 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -129.31 164.81 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -150.56 157.09 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -96.97 153.0 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.09 137.73 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -139.19 149.28 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.5 tp -97.28 114.8 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.84 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.45 -25.22 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' HD23 ' A' ' 19' ' ' LEU . 30.3 mt-30 -134.07 87.17 35.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.27 15.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.16 -25.12 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 148.7 7.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 111.076 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.05 7.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -43.44 148.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -124.02 135.23 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mm -100.71 130.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 53' ' ' LEU . 13.3 tp -114.15 148.56 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.38 102.5 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 42' ' ' LEU . 2.7 pp -69.93 152.31 95.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 118.21 5.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 163.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.49 HG23 ' HB2' ' A' ' 37' ' ' LEU . 8.7 t -130.5 159.61 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' CD ' HD22 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -56.91 -16.46 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD22 ' CD ' ' A' ' 36' ' ' GLU . 4.2 mm? -71.55 -74.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.22 170.01 21.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -75.81 -41.89 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -35.48 -39.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.1 p -169.04 163.78 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 32' ' ' LEU . 23.4 mt -121.52 -55.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.81 76.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.0 -26.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.51 136.67 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ILE . 51.5 m -91.98 126.96 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . 40.0 mm -34.73 -49.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -39.87 -58.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CE2' HD11 ' A' ' 53' ' ' LEU . 16.6 t80 -44.05 -55.22 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.76 -51.6 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -53.22 -15.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -90.73 -47.57 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.844 ' HB3' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -56.88 -58.11 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -59.41 -42.26 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -23.49 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.47 -18.89 54.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -93.23 -34.68 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.08 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.36 -19.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.26 -35.72 74.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -119.95 -40.38 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 68' ' ' ILE . 47.3 t -76.54 117.62 65.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.21 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.42 156.15 39.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.69 35.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.08 -26.39 22.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.2 18.71 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.22 166.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -135.75 156.31 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -106.31 132.71 52.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.96 129.28 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.475 ' HB3' HD21 ' A' ' 77' ' ' LEU . 41.3 t80 -141.61 135.02 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.9 t 64.16 30.11 13.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.59 77.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.11 140.43 30.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -69.92 148.55 48.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 72' ' ' TYR . 18.1 mt -107.69 136.55 47.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -92.93 161.08 14.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -76.3 -7.63 55.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.14 -1.44 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.667 ' NE2' ' CE1' ' A' ' 85' ' ' PHE . 5.3 mm100 -108.37 176.82 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -138.19 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.3 mm? -62.1 -39.23 91.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -39.38 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.667 ' CE1' ' NE2' ' A' ' 81' ' ' GLN . 11.0 t80 -48.59 -42.71 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.76 -32.69 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.07 23.11 13.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.36 132.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -100.7 152.18 37.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.554 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 2.18 3.78 Favored 'Trans proline' 0 C--O 1.23 0.116 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.22 5.4 23.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.11 -174.74 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.43 . . . . 0.0 110.85 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.432 HG23 ' CB ' ' A' ' 16' ' ' ALA . 4.6 m -134.76 136.19 42.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.67 148.14 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -109.72 149.07 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.76 124.45 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.71 123.96 49.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.572 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.9 mmm-85 -73.12 130.07 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -62.04 99.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -74.8 90.88 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.55 ' CH2' ' HD3' ' A' ' 104' ' ' PRO . 5.8 t90 -147.55 155.86 42.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 32.4 m -33.04 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.6 130.17 4.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 54.1 Cg_endo -69.74 108.46 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 t -114.48 126.17 54.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 t -85.02 105.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -113.48 100.12 8.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -83.96 146.4 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -164.0 46.06 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 28.1 p -38.36 156.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.851 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -77.17 -50.77 12.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.26 56.72 6.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 mtp -117.6 109.25 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -113.31 131.05 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.649 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -93.98 69.48 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m -130.19 142.17 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -80.74 -43.08 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 t-105 -60.77 125.84 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -128.22 164.43 22.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.14 160.0 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -105.36 154.08 20.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' LYS . 69.2 t -137.65 154.3 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.9 mmmm -148.91 130.96 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 22' ' ' GLN . 19.6 tp -80.86 98.94 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -52.7 -34.13 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.15 -36.82 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HD23 ' A' ' 19' ' ' LEU . 54.9 mt-30 -125.5 93.77 44.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.68 37.16 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.32 -27.43 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.85 146.14 95.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.52 21.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -86.35 142.69 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 m -119.99 131.68 55.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.3 mm -89.19 137.35 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG13 ' A' ' 54' ' ' ILE . 5.6 tp -124.87 132.76 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -112.63 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -79.34 153.08 76.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.76 -173.88 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 159.16 7.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -112.77 157.15 21.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.3 OUTLIER -61.13 -49.05 78.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' N ' HG22 ' A' ' 35' ' ' THR . 4.0 mm? -75.86 -74.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.41 -153.93 9.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 12.1 pt-20 -102.31 -36.09 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -21.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' GLU . 3.4 m -175.21 155.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 13' ' ' TRP . 6.2 mt -111.86 -63.11 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.4 70.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.65 -30.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' A' ' 42' ' ' LEU . 16.9 m-85 -53.17 128.73 28.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.354 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ILE . 4.0 m -89.31 127.46 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' SER . 47.2 mm -33.91 -49.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -44.96 -49.76 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 37.1 t80 -42.1 -64.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 54' ' ' ILE . 30.8 mt -48.92 -55.49 11.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -43.76 -22.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.7 mt-30 -86.75 -48.23 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.2 mp -58.92 -57.18 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 HD22 ' A' ' 30' ' ' LEU . 5.1 mp -52.9 -45.63 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.87 81.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.95 79.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -96.91 -33.63 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.1 mt -97.56 28.32 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.05 -16.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.5 pt-20 -66.96 -35.26 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 5.1 m -115.31 -43.8 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.503 HG13 HG21 ' A' ' 68' ' ' ILE . 71.8 t -75.51 122.81 87.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -154.9 153.63 27.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.75 25.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.18 -27.48 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' ' HG2' ' A' ' 99' ' ' LYS . 52.3 mt -87.8 19.9 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -145.05 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.11 174.02 8.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' HD13 ' A' ' 71' ' ' ILE . 12.8 tp -119.8 139.54 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 70' ' ' LEU . 38.8 mm -126.13 134.54 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.595 ' HB3' HD21 ' A' ' 77' ' ' LEU . 73.1 t80 -143.02 150.47 39.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 72' ' ' TYR . 2.3 t 42.28 38.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.64 35.67 92.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -159.48 136.14 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 tmmm? -67.66 148.41 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 72' ' ' TYR . 10.8 mt -112.87 122.11 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 163.31 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.46 -21.71 48.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.34 -12.82 58.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -84.54 167.14 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -127.67 178.48 6.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.48 -44.88 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' PHE . 11.0 t70 -67.63 -51.8 45.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ASP . 26.6 t80 -36.08 -41.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.01 -30.1 14.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.14 30.39 11.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.92 152.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.53 155.3 50.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 27.92 5.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 m -110.92 169.41 8.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 m -120.26 120.52 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.484 HG12 ' HD1' ' A' ' 72' ' ' TYR . 25.1 m -103.7 141.57 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -104.25 154.23 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.8 t -110.85 134.67 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.09 119.06 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -54.13 156.16 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HG2' ' C ' ' A' ' 67' ' ' LEU . 8.0 mmpt? -46.64 137.98 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.7 t -69.37 -52.83 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -49.88 151.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.23 -63.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.48 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 154.23 -59.84 0.39 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.8 Cg_endo -69.77 86.56 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -42.48 124.04 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -118.78 91.28 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.482 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -105.43 42.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -89.76 -55.8 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.95 158.07 8.69 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -143.72 124.08 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -126.07 120.79 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.08 110.37 3.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 mtt -79.22 150.36 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -121.4 149.34 43.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.68 -29.51 63.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 p -119.55 99.86 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -88.03 25.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 5.1 t-105 -60.84 116.77 4.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -131.83 149.5 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.09 159.21 42.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.24 150.55 21.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.28 124.94 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -126.99 139.81 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 22' ' ' GLN . 9.7 tp -88.39 123.2 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.65 -22.48 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.03 -32.25 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.739 ' HB2' HD23 ' A' ' 19' ' ' LEU . 57.6 mt-30 -127.8 90.08 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.97 -29.65 14.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.54 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.17 53.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -63.42 148.21 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -121.39 117.3 26.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.09 128.26 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 tp -112.78 141.42 46.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -130.69 107.07 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -69.84 151.87 96.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.24 54.14 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' OE2' HD21 ' A' ' 10' ' ' LEU . 22.6 tt0 -58.72 147.04 34.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -104.99 154.15 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 35' ' ' THR . 7.9 pt-20 -64.95 -43.29 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' N ' HG22 ' A' ' 35' ' ' THR . 2.5 mm? -52.09 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.59 -122.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -128.21 -30.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -38.98 158.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 42.9 t -35.98 111.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 45' ' ' TYR . 42.1 mt -35.21 -61.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.8 41.96 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -33.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 42' ' ' LEU . 22.7 m-85 -53.32 139.9 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.955 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -91.43 131.63 36.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -39.59 -43.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -47.33 -51.24 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 53' ' ' LEU . 13.0 t80 -42.54 -65.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 54' ' ' ILE . 27.2 mt -46.77 -55.92 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -43.88 -22.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.4 mt-30 -89.61 -45.78 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -59.71 -44.51 93.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 96' ' ' VAL . 4.0 mp -64.37 -52.83 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -57.56 -26.94 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.89 -28.88 53.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -87.87 -34.88 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.334 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -97.1 25.89 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.91 -16.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.02 -33.36 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -114.05 -42.83 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 70.7 t -84.38 118.78 71.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.02 149.96 51.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.505 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -20.77 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -84.38 -26.25 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.1 mt -86.94 10.7 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.9 pt -129.55 177.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 1.3 p30 -150.76 153.37 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 94' ' ' VAL . 8.7 tp -100.47 129.73 46.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 76' ' ' LYS . 31.0 mm -113.37 124.46 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t80 -138.52 150.51 46.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 6.0 t 48.82 30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.44 71.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -154.82 137.24 14.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.2 ttpp -61.77 152.04 32.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 72' ' ' TYR . 23.1 mt -113.44 114.26 26.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -64.23 155.81 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -86.6 27.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -126.2 7.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -115.6 -177.74 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.531 ' OG1' ' CD1' ' A' ' 85' ' ' PHE . 67.6 p -130.16 172.16 12.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.67 -36.66 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.46 -43.04 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 3.6 m-30 -43.5 -54.41 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.39 -28.49 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.83 18.08 26.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.42 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.0 mt -60.16 132.25 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -119.53 159.26 46.71 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.586 0.707 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 90.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.73 -16.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -69.82 -176.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 m -134.88 116.74 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 70' ' ' LEU . 3.7 m -102.16 156.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -115.82 131.8 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.557 ' CG2' HG21 ' A' ' 54' ' ' ILE . 71.9 t -84.96 145.68 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -128.59 140.88 51.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 97' ' ' LEU . 23.4 mmm-85 -104.3 97.88 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -39.94 137.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 m -111.87 96.17 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.405 ' HE1' ' CD ' ' A' ' 104' ' ' PRO . 20.9 t-105 -149.4 146.28 27.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 m -41.34 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.75 83.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' CD ' ' HE1' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.2 m -48.08 -49.91 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.5 p -123.14 131.93 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -80.73 172.36 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -122.25 -49.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.57 110.09 3.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.433 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -86.26 145.35 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -103.09 113.04 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.24 134.4 12.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.9 mtt -99.24 107.36 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -150.81 141.2 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 74.6 mt -146.46 144.56 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -83.74 165.39 18.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -45.65 7.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.532 ' NE1' HD21 ' A' ' 32' ' ' LEU . 9.2 t-105 -75.39 120.99 21.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -131.0 158.89 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 7.6 tp -145.89 153.68 41.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -96.29 152.74 18.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 54' ' ' ILE . 53.8 t -139.51 135.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -132.02 143.37 50.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 22' ' ' GLN . 7.9 tp -85.58 113.87 22.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -67.1 -27.52 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -81.64 -29.05 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.561 ' HB2' HD23 ' A' ' 19' ' ' LEU . 21.8 mt-30 -124.86 88.81 53.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.22 15.69 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.83 -30.69 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 154.13 3.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.33 27.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -85.26 150.51 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -122.52 115.56 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.69 114.18 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.74 HD22 HG13 ' A' ' 54' ' ' ILE . 6.5 tp -105.17 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -127.74 103.26 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.3 pp -63.99 152.01 88.39 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.733 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.08 22.59 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -60.49 163.4 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -113.75 169.47 8.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 6.9 pt-20 -87.78 -24.01 23.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 4.2 mm? -90.84 92.4 8.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.35 -162.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.44 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -114.48 -17.05 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -61.36 -175.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' TYR . 48.6 m -37.13 114.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CE1' ' A' ' 45' ' ' TYR . 12.5 mt -55.86 -59.74 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.68 68.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.88 -28.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -53.79 142.87 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ILE . 84.4 p -95.58 126.72 41.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 51' ' ' LYS . 28.3 mm -35.5 -49.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -39.73 -55.0 2.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.4 t80 -42.04 -66.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 54' ' ' ILE . 15.9 mt -45.66 -57.18 4.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.5 ' HD2' HG22 ' A' ' 47' ' ' ILE . 27.4 mttt -40.85 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.9 mt-30 -86.83 -44.27 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.4 mp -62.78 -50.85 69.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.74 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -59.47 -49.38 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -53.84 -29.93 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -27.19 71.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -87.61 -38.51 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.1 mt -74.59 0.48 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -31.82 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' LEU . 15.3 pt-20 -41.22 -50.81 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 2.0 m -116.34 -32.24 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 68' ' ' ILE . 63.2 t -78.72 112.16 24.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.64 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.2 153.86 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.537 0.684 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -21.48 33.54 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.61 -28.29 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -139.96 -179.39 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -147.53 161.26 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 94' ' ' VAL . 12.4 tp -116.38 128.22 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.5 133.85 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.757 ' HB3' HD21 ' A' ' 77' ' ' LEU . 23.0 t80 -143.17 150.93 40.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 35.5 t 45.29 38.57 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.59 80.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 9.5 ptp180 -155.1 140.85 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.85 140.66 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 72' ' ' TYR . 45.1 mt -100.29 113.75 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.42 157.88 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -28.29 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.1 -20.07 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -85.65 171.78 11.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.2 p -132.5 169.96 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -57.71 -35.94 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.49 -47.02 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -40.63 -47.44 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CE1' ' HD2' ' A' ' 75' ' ' ARG . 46.1 m-85 -88.63 -34.3 17.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.89 16.71 18.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.95 146.52 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 mt-30 -132.36 161.68 61.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.523 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.37 11.8 14.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 m -103.2 173.51 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.41 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -129.61 133.63 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.59 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.9 m -107.76 166.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.58 132.31 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.5 t -94.03 141.86 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -126.41 122.04 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.604 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.6 mtt85 -70.83 123.52 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.82 165.13 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 p -97.62 44.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.46 ' NE1' ' HB2' ' A' ' 102' ' ' SER . 1.6 p90 -56.67 -41.61 77.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 5.8 m -158.84 174.25 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -106.04 90.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 96.65 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 t -59.64 119.94 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.7 t -119.36 158.88 25.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -90.48 96.77 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.813 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -49.26 137.25 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.7 113.82 1.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -87.66 -55.07 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -79.2 144.16 34.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.19 153.61 52.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.431 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 mtm -73.58 110.84 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -79.05 156.0 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.47 127.6 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -144.57 -175.14 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.71 -56.11 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.633 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.0 t-105 -63.24 118.99 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -128.87 131.63 47.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 11.2 tp -123.28 157.81 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 153.48 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.22 121.94 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -117.69 157.62 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 22' ' ' GLN . 16.5 tp -106.24 103.57 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.98 69.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -67.68 -29.57 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.689 ' HB2' HD23 ' A' ' 19' ' ' LEU . 64.7 mt-30 -133.9 88.43 32.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -8.19 22.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.54 -28.81 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -58.31 160.2 9.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.8 Cg_endo -69.78 172.6 12.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -96.85 155.4 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -127.78 143.25 51.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -106.68 133.88 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.716 HD22 HG13 ' A' ' 54' ' ' ILE . 8.9 tp -119.8 144.96 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -122.15 102.16 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -71.53 151.45 93.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.58 52.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.95 173.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 37' ' ' LEU . 14.1 t -144.49 160.05 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -40.42 -36.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' H ' HG23 ' A' ' 35' ' ' THR . 1.2 mm? -101.39 -178.63 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.0 160.98 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.55 79.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -38.38 -35.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -155.77 122.38 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 mt -91.46 -66.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.58 58.64 2.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.84 -31.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 29.6 m-85 -60.97 141.34 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.967 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.3 m -92.66 129.13 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 24.2 mm -34.25 -51.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -45.17 -48.03 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 35.4 t80 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 54' ' ' ILE . 22.3 mt -52.32 -53.63 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -43.64 -23.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -84.7 -50.72 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mp -56.8 -51.47 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.716 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.27 69.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.64 -19.17 72.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -99.02 -36.69 9.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.536 HD11 HG21 ' A' ' 96' ' ' VAL . 36.2 mt -74.0 2.2 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -32.54 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.3 pp20? -44.39 -50.95 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -115.13 -34.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 HG21 ' A' ' 68' ' ' ILE . 25.7 t -79.5 112.19 26.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -142.65 154.48 62.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.96 32.89 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -85.8 -25.23 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.38 19.17 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.433 HG21 HG22 ' A' ' 62' ' ' VAL . 2.6 pp -143.56 177.85 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -139.29 -175.9 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -136.17 130.03 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 23.1 mm -121.59 131.31 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.609 ' HB3' HD21 ' A' ' 77' ' ' LEU . 3.7 t80 -142.76 129.95 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.2 t 69.36 30.87 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.21 31.86 68.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.2 ptm85 -160.47 144.01 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 9.0 ttmt -71.03 157.57 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.3 mt -118.24 125.46 50.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 165.35 25.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -88.68 21.64 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.42 8.19 10.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 6.0 mm-40 -115.9 168.78 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 p -119.95 170.03 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -56.39 -41.46 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.77 -37.34 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 5.2 t80 -51.98 -46.22 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 13.8 m-85 -84.41 -32.22 24.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.43 21.47 9.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.8 mt -66.15 146.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt-30 -131.09 161.61 60.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.3 2.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.366 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.98 20.37 6.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 m -134.84 134.39 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -113.3 132.04 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.25 120.59 33.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 58' ' ' LEU . 24.0 t -84.19 131.43 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 118.06 27.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -88.66 138.22 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -69.79 92.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -72.29 104.09 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.632 ' CG ' ' N ' ' A' ' 102' ' ' SER . 1.6 p90 -85.19 -52.84 5.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.632 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 5.7 t -150.35 -177.34 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.92 88.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.77 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.6 p -39.36 120.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.2 t -44.35 -48.69 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m 52.41 42.18 31.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.876 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -80.41 161.72 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.15 47.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -112.29 121.42 44.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -102.36 158.98 15.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 56.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 ttm -100.27 90.61 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -149.21 139.17 22.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.29 112.83 23.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -87.9 162.0 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -89.34 -44.25 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.3 t-105 -81.24 121.13 25.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.48 134.0 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 tp -119.53 155.37 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.61 138.37 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 54' ' ' ILE . 68.5 t -124.36 146.26 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -147.28 130.99 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 16.1 tp -78.45 106.05 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.95 -37.44 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 22.7 mt-30 -122.66 95.37 46.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -11.6 31.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.46 -35.38 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.91 148.53 3.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -86.71 146.29 26.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -122.13 107.48 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -73.89 123.52 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.782 HD22 HG13 ' A' ' 54' ' ' ILE . 12.0 tp -102.91 144.81 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.56 99.77 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.3 pp -72.5 152.67 91.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.72 173.83 10.36 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.59 157.23 23.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.592 HG23 ' H ' ' A' ' 38' ' ' GLY . 13.5 t -125.91 169.46 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.677 ' HG3' HD22 ' A' ' 37' ' ' LEU . 9.9 pt-20 -56.29 -41.72 76.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 36' ' ' GLU . 2.5 mm? -61.82 -51.69 67.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' H ' HG23 ' A' ' 35' ' ' THR . . . 139.37 -146.67 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.16 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -56.23 -13.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -174.89 119.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.4 mt -91.3 -60.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.13 71.01 0.14 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.11 -28.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 13.0 m-85 -64.39 124.31 21.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 82' ' ' THR . 49.6 p -81.39 128.05 33.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.6 mm -34.12 -44.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 79' ' ' ASP . 33.7 t -47.47 -51.86 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 53' ' ' LEU . 46.0 t80 -46.07 -65.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LEU . 16.8 mt -44.12 -58.18 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -38.41 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 28.4 mt-30 -81.68 -41.57 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.2 mp -65.43 -56.19 13.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.782 HG13 HD22 ' A' ' 30' ' ' LEU . 5.2 mp -56.49 -52.49 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.0 -30.82 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.68 -22.76 78.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -94.16 -37.27 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 17' ' ' VAL . 25.5 mt -74.41 2.59 9.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -32.73 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.8 pp20? -38.79 -47.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 2.9 m -121.1 -29.28 4.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 68' ' ' ILE . 95.6 t -79.08 111.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -145.07 153.28 53.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.0 37.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -86.76 -29.87 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.76 22.8 2.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.714 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.8 pp -142.81 176.99 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.12 172.83 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.17 133.51 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.9 mm -124.6 135.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' HD21 ' A' ' 77' ' ' LEU . 63.8 t80 -143.0 139.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.442 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 52.08 35.87 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.83 20.97 72.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 31.3 ptt180 -141.91 133.68 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 140.47 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 72' ' ' TYR . 21.4 mt -101.63 127.61 48.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -84.42 159.53 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 97.6 m-20 -71.18 -21.63 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.67 -18.4 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 3.6 mp0 -92.4 178.07 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 46' ' ' SER . 40.5 p -140.77 -175.18 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 mm? -62.75 -51.98 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' PHE . 9.6 t70 -67.55 -43.39 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -36.94 -45.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 81' ' ' GLN . 60.4 m-85 -94.19 -35.19 12.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.95 34.36 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -71.28 147.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -122.46 154.02 62.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.73 89.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.26 -22.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.7 p -63.82 -179.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 m -132.65 124.48 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.92 156.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 67.4 m80 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -98.87 133.83 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.2 117.6 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.714 ' HG2' HG22 ' A' ' 68' ' ' ILE . 24.6 mtm180 -72.92 124.74 26.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -59.16 152.69 19.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.3 t -86.52 119.01 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -129.84 150.52 51.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -48.21 -58.84 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.482 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 155.63 -59.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.4 Cg_endo -69.77 80.05 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.7 m -70.87 -55.08 9.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t 56.92 41.88 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -40.07 -46.64 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 44.58 42.2 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.76 -125.78 2.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -63.52 138.27 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -152.33 131.12 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.55 85.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -155.93 134.91 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -111.4 21.05 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.0 175.23 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -61.82 140.36 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.36 86.98 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.67 ' CD1' HD21 ' A' ' 32' ' ' LEU . 6.9 t-105 -65.14 114.54 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -131.68 149.42 52.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -133.07 159.69 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -100.03 143.64 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 58' ' ' LEU . 90.0 t -122.27 132.36 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -133.17 140.2 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.9 tp -91.49 106.37 18.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.61 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.89 -28.11 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.603 ' HG3' HD23 ' A' ' 19' ' ' LEU . 38.8 mt-30 -128.87 88.48 51.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.38 18.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.49 -30.6 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.17 148.59 2.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.5 17.69 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 21.2 ttpt -59.21 139.82 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -118.94 138.24 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.2 135.02 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 54' ' ' ILE . 33.4 tp -106.72 146.7 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -129.36 107.93 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -79.22 150.78 74.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.67 -174.22 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.45 -176.0 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.2 t -151.39 -177.95 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 35' ' ' THR . 5.7 pm0 -52.5 -23.56 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' H ' HG23 ' A' ' 35' ' ' THR . 1.1 mp -112.51 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' H ' HG23 ' A' ' 35' ' ' THR . . . 165.72 -175.41 41.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' HA ' HD21 ' A' ' 42' ' ' LEU . 4.8 pt-20 -83.36 -44.55 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' SER . 1.6 p90 -33.91 -50.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' TYR . 4.4 t -124.72 104.45 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 39' ' ' GLU . 10.1 mt -87.15 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.2 59.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.27 -28.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CD2' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -62.03 130.41 45.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.2 m -86.39 129.13 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' SER . 36.2 mm -36.22 -48.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -39.51 -53.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.805 ' CE2' HD11 ' A' ' 53' ' ' LEU . 26.9 t80 -47.16 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 53' ' ' LEU . 17.3 mt -46.22 -56.25 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -41.46 -24.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' LEU . 18.2 mt-30 -88.38 -47.13 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.9 mp -53.66 -49.03 68.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -63.1 -55.45 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -49.67 -33.95 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -28.94 66.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -85.13 -26.18 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' A' ' 17' ' ' VAL . 25.3 mt -102.75 24.97 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.06 -15.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.28 -35.72 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -119.26 -43.61 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -72.21 120.69 81.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -152.4 152.09 28.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.84 -15.41 36.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.5 -29.62 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -87.36 14.55 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.03 167.46 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -131.46 164.79 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 tp -112.35 141.02 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 76' ' ' LYS . 11.0 mm -129.77 131.6 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 77' ' ' LEU . 80.6 t80 -139.71 145.9 38.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 50.22 28.45 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.43 26.76 69.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -149.95 134.05 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HA ' HD13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.24 148.88 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 72' ' ' TYR . 20.0 mt -111.91 124.55 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -78.11 159.13 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.56 0.5 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.99 -9.44 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 1.4 mp0 -101.58 173.35 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.8 p -131.64 -175.2 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.64 -52.51 64.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' GLY . 5.4 t70 -57.72 -56.38 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 10.2 t80 -34.45 -48.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -88.83 -25.98 21.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 83.36 25.48 47.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mt -52.78 138.98 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -107.16 153.5 41.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.27 25.43 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.4 p -105.35 179.46 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.981 0.42 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 67.3 m -134.23 140.23 46.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -118.0 162.8 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -123.79 147.87 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.73 126.41 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.532 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -117.68 119.84 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.532 ' N ' HD13 ' A' ' 97' ' ' LEU . 11.7 mtm105 -73.5 141.06 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -72.89 159.22 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.4 t -97.75 84.63 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' SER . 9.2 t-105 -147.13 139.71 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' TRP . 54.7 m -34.87 -69.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.09 84.17 1.29 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 177.65 5.4 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 p -120.27 132.24 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.0 p -69.68 98.43 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -134.18 159.52 40.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -150.6 162.92 39.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.76 122.71 10.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -93.42 101.87 14.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -70.88 141.75 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.36 49.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.2 mmt -97.47 152.36 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 152.76 22.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.33 137.28 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 t -70.7 169.37 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.68 -46.93 5.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.799 ' CD2' HD11 ' A' ' 42' ' ' LEU . 4.7 t-105 -57.2 121.16 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -129.67 149.88 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -135.73 156.1 49.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.59 149.69 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.05 129.16 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -130.63 136.32 48.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 22' ' ' GLN . 3.3 tp -82.98 116.02 22.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.57 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 19' ' ' LEU . 32.2 mt-30 -123.23 92.17 49.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 54.1 Cg_endo -69.73 -6.96 19.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -98.74 -34.17 10.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.78 154.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.91 68.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -76.31 142.77 41.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -118.76 126.96 53.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.95 128.08 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 8.8 tp -109.86 145.47 36.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -133.74 112.65 11.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.25 154.81 76.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' PRO . 12.0 pt-20 -34.42 123.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.505 ' CG2' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.48 155.33 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' C ' HD22 ' A' ' 37' ' ' LEU . 2.9 pt-20 -85.04 -38.94 18.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.6 mm? -134.9 94.1 3.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' O ' HG21 ' A' ' 35' ' ' THR . . . 41.19 -158.38 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 40' ' ' TYR . 9.0 pt-20 -108.57 -33.38 7.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -32.92 -37.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.6 p -176.2 151.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 13' ' ' TRP . 3.1 mt -89.85 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 32.61 76.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.12 -31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.422 ' O ' HD23 ' A' ' 83' ' ' LEU . 11.4 m-85 -61.04 122.4 14.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -82.46 135.07 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -44.67 -46.26 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -43.73 -41.3 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.868 ' CE1' HD11 ' A' ' 53' ' ' LEU . 21.8 t80 -51.23 -61.14 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' GLN . 15.4 mt -50.5 -52.79 35.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -44.05 -22.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 50' ' ' LEU . 26.1 mt-30 -88.71 -53.15 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CE1' ' A' ' 49' ' ' PHE . 5.4 mp -57.02 -40.69 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG21 HG21 ' A' ' 96' ' ' VAL . 15.9 mt -64.75 -55.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.09 -28.77 41.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.08 -25.67 57.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 17.0 mmmt -88.03 -38.04 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.81 24.5 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.92 -18.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -64.38 -34.26 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -117.67 -44.65 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 68' ' ' ILE . 96.3 t -77.44 118.13 69.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.36 154.58 36.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HA ' HD11 ' A' ' 68' ' ' ILE . 54.0 Cg_endo -69.8 -20.76 34.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -85.21 -28.21 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.48 20.83 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.796 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.6 pp -142.72 167.91 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.45 161.5 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 94' ' ' VAL . 22.1 tp -113.38 125.88 54.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mm -114.64 129.93 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.697 ' HB3' HD21 ' A' ' 77' ' ' LEU . 52.9 t80 -140.62 141.38 35.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 4.7 t 54.33 25.82 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.68 26.15 61.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -153.22 136.56 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.07 132.07 47.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.8 mt -92.34 119.27 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -66.35 159.75 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.86 28.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -122.41 -26.09 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HG3' ' CE2' ' A' ' 85' ' ' PHE . 6.2 mp0 -85.4 177.5 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 ' H ' ' CB ' ' A' ' 85' ' ' PHE . 3.0 p -128.57 173.56 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 45' ' ' TYR . 1.1 mm? -54.05 -53.5 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.28 -34.7 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' GLN . 8.4 t80 -52.18 -45.36 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -90.22 -22.64 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.69 29.45 23.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 72' ' ' TYR . 37.1 mt -65.48 155.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 21.2 mp0 -122.72 149.5 56.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.709 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.525 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.76 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.54 -11.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 p -66.02 -178.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -131.3 116.27 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 70' ' ' LEU . 3.6 m -101.62 131.3 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.8 141.65 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 54' ' ' ILE . 47.7 t -100.95 137.7 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -132.91 124.63 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.796 ' HG2' HG22 ' A' ' 68' ' ' ILE . 11.3 mtp-105 -72.17 155.87 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -74.6 -55.29 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' TRP . 15.2 t -158.5 109.6 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' SER . 16.3 t-105 -35.25 149.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -64.52 179.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.14 86.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -29.38 23.77 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.9 m -53.95 -45.69 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -93.75 44.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -76.93 -50.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -163.73 110.35 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.99 -155.07 12.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -147.47 157.91 43.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -128.82 170.1 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.16 -167.79 25.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 mtt -123.58 94.5 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -85.13 151.03 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.15 -43.47 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . 50.4 m 43.57 24.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . 24.8 t70 -36.24 -35.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.693 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.2 t-105 -88.0 121.12 30.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -129.84 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.07 153.94 46.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -100.14 140.25 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 58' ' ' LEU . 89.4 t -121.45 125.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -120.34 138.68 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 22' ' ' GLN . 5.3 tp -91.04 102.29 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -39.41 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.07 -37.29 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.593 ' HG3' HD23 ' A' ' 19' ' ' LEU . 52.6 mt-30 -119.69 93.67 47.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.73 24.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -98.94 -34.59 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.66 151.91 0.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.72 13.96 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 16.3 ttmt -84.63 152.21 23.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.07 106.88 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.7 mm -78.75 120.92 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD12 ' NZ ' ' A' ' 57' ' ' LYS . 11.8 tp -104.1 141.87 35.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -122.15 96.48 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -63.32 151.66 86.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.76 33.35 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.29 162.12 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -131.3 146.05 52.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.37 -39.15 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -40.84 -53.46 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.0 -166.16 29.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' TYR . 3.0 pp20? -94.4 -37.6 11.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -39.62 160.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' TYR . 21.2 t -33.43 103.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.655 HD13 ' CE2' ' A' ' 45' ' ' TYR . 41.6 mt -38.85 -65.31 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.41 74.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.37 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.655 ' CE2' HD13 ' A' ' 42' ' ' LEU . 21.1 m-85 -49.07 138.97 11.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' ILE . 22.5 p -89.53 126.53 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.7 mm -36.78 -43.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 p -49.28 -48.03 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 53' ' ' LEU . 36.2 t80 -47.16 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' LEU . 17.7 mt -43.48 -60.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 79.3 mttt -36.31 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.3 mt-30 -79.11 -44.8 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -61.99 -51.62 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.9 mp -57.47 -56.85 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.62 -37.66 28.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -31.85 64.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' NZ ' HD12 ' A' ' 30' ' ' LEU . 10.8 mmtp -81.97 -30.15 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 17' ' ' VAL . 23.4 mt -102.27 26.03 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.7 -18.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.7 pt-20 -62.29 -39.9 94.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.4 m -113.86 -43.26 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG13 HG21 ' A' ' 68' ' ' ILE . 49.2 t -70.59 119.09 70.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.54 151.37 28.64 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -17.97 37.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -87.04 -30.85 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.69 27.07 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.74 171.27 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.69 170.88 14.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -116.46 133.19 56.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . 41.7 mm -122.5 129.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.809 ' HD2' HG12 ' A' ' 94' ' ' VAL . 33.5 t80 -142.85 140.6 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 8.3 t 55.22 37.96 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.02 31.91 82.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -158.01 135.07 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 13.2 ttpp -69.6 147.85 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 86' ' ' TYR . 9.5 mt -110.71 127.02 55.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 81' ' ' GLN . 3.4 ptpt -61.56 174.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.11 13.94 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.34 -9.89 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' CG ' ' A' ' 85' ' ' PHE . 15.0 mm-40 -88.11 -178.08 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.0 p -128.77 164.27 23.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.92 -37.2 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' PHE . 18.0 t70 -71.12 -51.14 26.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 32.4 t80 -34.02 -56.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 77' ' ' LEU . 48.8 m-85 -76.82 -30.97 56.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 96.71 37.71 4.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -81.82 133.03 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.52 155.07 44.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.521 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.8 -24.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -65.3 -175.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -131.95 118.42 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.809 HG12 ' HD2' ' A' ' 72' ' ' TYR . 13.8 m -100.66 144.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -101.85 146.64 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.497 HG21 HG21 ' A' ' 54' ' ' ILE . 47.8 t -113.12 136.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.5 tm? -128.05 121.33 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -70.01 121.02 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -50.1 155.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' TRP . 21.7 t -80.05 45.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 104' ' ' PRO . 3.0 t90 -36.85 -65.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.442 ' HB2' ' CE2' ' A' ' 101' ' ' TRP . 1.8 m -174.33 178.51 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -121.46 88.87 0.42 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 101' ' ' TRP . 53.0 Cg_endo -69.8 2.36 3.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -88.03 -48.49 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -125.43 109.36 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -102.93 -46.02 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -50.31 171.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.02 177.67 48.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.79 145.13 47.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -153.31 170.51 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.29 45.77 3.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -110.46 156.06 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -81.57 119.46 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.5 mt -128.81 150.8 50.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.3 p -112.68 115.05 27.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.46 41.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.6 t-105 -77.86 124.12 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -127.44 160.21 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -145.25 159.52 42.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.623 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -100.84 147.03 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.34 123.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -120.43 151.53 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.4 tp -99.81 106.54 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -54.53 -39.19 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.64 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HG3' HD23 ' A' ' 19' ' ' LEU . 12.9 mt-30 -126.36 92.44 45.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.6 Cg_endo -69.75 -9.18 25.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -96.53 -33.33 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 149.97 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.143 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.6 67.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -73.41 140.47 46.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -105.72 159.08 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.15 123.29 68.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 tp -108.52 125.97 52.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -113.89 94.67 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -64.25 152.44 88.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 155.32 65.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -54.49 170.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 1.6 t -136.4 175.61 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HG3' HD22 ' A' ' 37' ' ' LEU . 12.1 pt-20 -80.42 -18.14 49.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD22 ' HG3' ' A' ' 36' ' ' GLU . 4.2 mm? -83.82 175.8 9.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -135.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.44 -29.11 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -47.28 172.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' LEU . 72.8 m -37.52 104.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 46.2 mt -36.03 -52.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.43 68.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.11 -31.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 42' ' ' LEU . 25.3 m-85 -58.98 141.57 53.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.7 m -92.99 127.77 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.6 mm -36.15 -49.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -42.2 -52.07 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.7 t80 -41.8 -65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.6 mt -46.2 -57.43 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.22 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' LEU . 24.9 mt-30 -88.26 -49.64 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.4 mp -59.6 -38.77 82.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.57 -56.29 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.43 -31.78 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.19 -31.63 46.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -80.52 -28.13 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.67 29.39 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -51.28 -16.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.49 -33.48 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -113.11 -51.79 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.015 HG13 HG21 ' A' ' 68' ' ' ILE . 2.9 t -87.74 114.27 58.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -142.06 151.19 58.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.556 ' HA ' HD11 ' A' ' 68' ' ' ILE . 53.1 Cg_endo -69.8 -24.63 29.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -77.84 -26.52 49.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.06 18.23 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.015 HG21 HG13 ' A' ' 62' ' ' VAL . 2.4 pp -144.93 172.0 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -136.34 152.59 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -103.85 126.45 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.94 132.93 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 81.7 t80 -141.84 138.04 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.463 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 3.9 m 56.94 25.14 10.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 16.57 78.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -140.45 130.26 24.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -62.01 141.85 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 72' ' ' TYR . 34.7 mt -103.26 129.47 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -96.47 161.42 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.68 5.8 10.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -90.95 -17.41 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.585 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 3.9 mp0 -109.69 -177.5 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -131.55 -179.5 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.84 -46.03 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -45.21 79.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' HG2' ' A' ' 81' ' ' GLN . 21.9 t80 -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -92.91 -21.83 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.92 36.51 11.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 22.1 mt -69.91 151.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 24.1 mp0 -119.57 151.28 51.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.3 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.58 7.23 13.83 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.89 -178.66 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.623 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.4 m -134.96 134.86 40.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -104.33 168.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 94.8 m-70 -131.18 131.48 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 t -97.39 125.17 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -107.7 126.55 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' HG22 ' A' ' 68' ' ' ILE . 5.3 mmm180 -77.53 131.65 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.01 -67.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -147.21 156.79 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 102' ' ' SER . 7.1 t90 -75.36 157.3 34.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.51 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 69.6 m -37.91 156.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.72 110.44 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m 71.78 45.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -90.83 106.27 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.1 t-105 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -129.06 158.98 37.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.58 152.3 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -99.4 141.87 31.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 58' ' ' LEU . 80.7 t -125.49 124.88 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.64 136.4 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HG3' ' A' ' 22' ' ' GLN . 14.8 tp -82.3 108.64 15.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -57.7 -35.75 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -67.57 -25.46 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' HG3' HD23 ' A' ' 19' ' ' LEU . 36.4 mt-30 -134.09 88.1 32.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.8 Cg_endo -69.81 -7.82 22.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -93.75 -28.71 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 148.56 60.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.87 41.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' NZ ' HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -68.58 139.55 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -106.14 156.9 17.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.946 HG22 ' OE1' ' A' ' 31' ' ' GLN . 47.4 mm -106.24 120.39 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 53' ' ' LEU . 7.6 tp -105.55 116.79 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.946 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.1 mp0 -102.85 102.37 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.1 pp -71.19 152.85 94.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 45' ' ' TYR . 55.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 43.86 56.76 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -30.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.6 m-85 -53.38 155.79 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.1 m -114.49 129.8 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.4 mm -36.64 -53.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ILE . 6.2 t -34.58 -51.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.3 t80 -50.6 -58.19 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 54' ' ' ILE . 12.9 mt -49.83 -52.11 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -45.95 -22.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.56 -54.46 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.76 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -50.07 -55.33 15.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 HD22 ' A' ' 50' ' ' LEU . 3.5 mp -57.94 -50.21 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 -23.31 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.17 -25.59 51.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -90.49 -35.49 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD11 ' CG1' ' A' ' 17' ' ' VAL . 15.2 mt -91.02 21.82 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -50.25 -17.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.62 -36.02 82.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -116.04 -44.53 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 68' ' ' ILE . 43.9 t -73.46 121.59 85.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.28 155.63 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.56 34.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.84 -29.68 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.38 19.27 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -139.59 -175.39 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -154.73 170.4 21.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.7 tp -117.26 134.71 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 12.6 mm -119.67 128.24 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.737 ' HB3' HD21 ' A' ' 77' ' ' LEU . 70.9 t80 -137.26 140.6 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 32.2 t 58.24 27.18 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.43 16.41 80.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -142.46 138.94 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -62.37 157.42 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.9 mt -119.07 120.4 37.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.62 164.98 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.24 6.72 28.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -110.26 10.65 23.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.49 173.54 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -129.73 163.33 26.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -59.87 -35.23 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.78 -32.77 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.1 -45.99 86.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -84.01 -30.95 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.99 16.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.53 144.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -130.09 158.75 73.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.54 -22.07 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -67.93 -179.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.6 m -134.58 126.31 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 70' ' ' LEU . 17.7 m -102.23 166.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.06 135.98 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.3 t -91.93 135.9 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -128.9 129.04 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.632 ' N ' HD13 ' A' ' 97' ' ' LEU . 45.7 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 3.2 t-105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -130.75 159.15 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -143.01 155.97 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 92' ' ' SER . . . -102.93 150.08 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -139.63 141.92 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -136.62 125.16 23.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.809 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.7 tp -68.38 109.28 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -54.3 -37.85 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.8 -24.55 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.809 ' HG3' HD23 ' A' ' 19' ' ' LEU . 30.7 mt-30 -132.85 84.85 48.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.81 14.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.13 -27.01 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.0 154.14 2.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.49 16.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 24.2 ttpt -44.68 140.57 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -79.26 128.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 54' ' ' ILE . 14.3 tp -109.28 150.56 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -130.62 102.7 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 2.8 pp -71.9 152.19 93.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.647 2.232 . . . . 0.0 112.388 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 32.1 mt . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.27 60.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.55 -31.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -55.88 136.13 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.7 m -96.48 131.93 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.8 mm -34.49 -53.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -39.46 -51.55 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 53' ' ' LEU . 11.1 t80 -43.91 -64.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.39 -51.74 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -47.42 -20.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -90.58 -51.75 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.5 mp -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.629 HG13 HD22 ' A' ' 30' ' ' LEU . 3.1 mp -65.38 -54.63 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.31 -18.26 67.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -99.82 -31.97 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.14 27.52 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.24 -17.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.88 -34.2 77.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -42.22 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.846 HG13 HG21 ' A' ' 68' ' ' ILE . 3.2 t -89.45 120.32 69.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.97 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.69 150.98 31.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.815 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -22.44 32.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.07 -35.04 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.46 11.05 6.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.846 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -140.34 161.22 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.02 175.61 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' O ' HD13 ' A' ' 71' ' ' ILE . 13.1 tp -116.78 138.44 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 70' ' ' LEU . 26.4 mm -123.92 126.67 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.782 ' HD1' HG12 ' A' ' 94' ' ' VAL . 59.5 t80 -141.16 146.45 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.0 t 52.14 29.34 6.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 27.09 71.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -149.82 140.72 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.04 139.79 54.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD22 ' CE2' ' A' ' 86' ' ' TYR . 23.5 mt -101.29 128.77 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -90.57 161.47 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -73.84 -2.12 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.71 3.31 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -111.12 157.36 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' LEU . 33.3 p -124.35 151.34 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.3 mm? -35.85 -44.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.11 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.2 t80 -41.65 -49.95 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.651 ' CE2' HD22 ' A' ' 77' ' ' LEU . 33.0 m-85 -85.45 -26.43 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.12 30.96 18.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.12 129.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -101.62 155.25 36.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 96.46 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.24 -26.67 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.3 p -49.82 178.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -129.19 123.52 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 ' HD1' ' A' ' 72' ' ' TYR . 9.3 m -113.57 150.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -110.07 139.94 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 21.9 t -102.2 130.18 52.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -121.57 118.36 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.573 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.2 ptt85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 4.8 t-105 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -131.0 167.05 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -151.76 160.84 43.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.32 154.57 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 58' ' ' LEU . 98.9 t -131.49 131.45 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 5.3 mmmm -130.9 147.7 52.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -97.4 124.1 41.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.14 -30.75 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -127.26 90.03 50.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.7 -31.54 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.69 149.83 1.39 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.74 40.9 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -66.66 150.97 48.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -129.34 140.66 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -100.88 133.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 53' ' ' LEU . 12.2 tp -111.86 124.68 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.84 104.13 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 32' ' ' LEU . 3.2 pp -74.05 152.02 88.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.78 76.69 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.56 -40.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -48.65 139.01 10.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -91.34 127.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -42.19 -42.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -42.94 -52.9 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.699 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.2 t80 -46.6 -63.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -46.97 -54.28 10.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.25 -45.74 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -57.59 -49.6 75.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 30' ' ' LEU . 3.3 mp -60.37 -54.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.78 -24.32 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -18.28 68.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HG3' HD12 ' A' ' 30' ' ' LEU . 28.8 mmtt -98.12 -32.19 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 17' ' ' VAL . 16.1 mt -96.47 22.8 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -45.95 -21.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' SER . 9.6 pt-20 -55.95 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.0 m -112.91 -39.88 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.761 HG13 HG21 ' A' ' 68' ' ' ILE . 96.0 t -81.57 112.2 32.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 143.6 41.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.8 -11.81 31.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.98 -30.32 14.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.93 20.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -140.38 163.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -129.16 155.65 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -107.43 134.97 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mm -119.03 134.48 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.709 ' HB3' HD21 ' A' ' 77' ' ' LEU . 64.4 t80 -139.16 135.56 34.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 m 56.51 27.11 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.18 20.01 76.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -145.08 126.84 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.44 153.34 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 72' ' ' TYR . 11.4 mt -118.3 128.21 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -79.93 156.95 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.2 p30 -77.12 -0.43 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -96.75 -9.16 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.521 ' HG3' ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -94.37 176.52 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -136.16 161.86 34.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -47.11 -42.98 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -67.65 -51.35 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CG ' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -34.87 -49.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.58 -26.03 17.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.64 26.74 31.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.9 mt -50.4 139.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 18.7 mp0 -103.0 150.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.26 23.21 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 p -98.16 -179.75 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -134.68 127.38 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.11 174.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 93.5 m-70 -142.06 131.52 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.3 t -93.43 140.8 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -126.73 124.65 40.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.627 ' N ' HD13 ' A' ' 97' ' ' LEU . 5.8 mmt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.581 ' NE1' HD21 ' A' ' 32' ' ' LEU . 3.9 t-105 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -131.45 159.43 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 tp -149.71 155.92 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -96.84 155.28 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.617 HG11 HD21 ' A' ' 58' ' ' LEU . 44.9 t -137.86 134.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -140.21 125.18 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.09 126.68 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -29.44 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.29 -31.39 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.41 88.11 51.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.43 16.18 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.83 -29.03 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.62 154.12 4.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.079 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 166.28 28.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.658 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 10.1 ttmm -88.48 155.45 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -127.57 115.26 18.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.83 114.43 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' LEU . 9.6 tp -103.57 145.44 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -130.58 98.54 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 42' ' ' LEU . 4.4 pp -64.2 150.37 92.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 32' ' ' LEU . 16.7 mt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.876 0.369 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.13 69.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.42 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.459 ' CE1' HD13 ' A' ' 42' ' ' LEU . 7.9 m-85 -53.8 150.33 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.5 m -104.26 139.23 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 77' ' ' LEU . 37.7 mm -46.29 -47.7 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -39.69 -47.53 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -50.19 -64.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -45.91 -56.84 4.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 62.6 mttt -40.6 -24.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . 14.3 mt-30 -85.98 -46.51 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 5.2 mp -59.22 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -55.42 -52.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -45.94 -32.47 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.55 -31.28 30.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -74.38 -30.36 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 17' ' ' VAL . 13.2 mt -100.3 24.86 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -48.37 -19.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.11 -38.32 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.93 -44.37 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.721 HG13 HG21 ' A' ' 68' ' ' ILE . 94.1 t -75.52 114.94 41.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' NH1' ' A' ' 98' ' ' ARG . 53.3 Cg_endo -69.77 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.61 154.07 47.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.7 36.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.19 -24.51 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 mt -92.38 21.29 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.721 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -142.37 -179.72 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.19 154.03 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.89 129.82 48.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.1 mm -115.79 125.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.875 ' HB3' HD21 ' A' ' 77' ' ' LEU . 82.0 t80 -133.29 135.21 44.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 5.5 t 56.55 27.35 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.64 19.72 75.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -142.94 132.37 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -62.11 153.9 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 72' ' ' TYR . 13.5 mt -114.34 129.78 56.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -81.89 158.71 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -1.17 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.92 4.2 42.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -108.1 177.53 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -136.68 165.26 26.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -53.82 -54.17 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -37.24 80.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 5.1 t80 -51.37 -49.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.83 -28.11 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.85 15.11 29.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 83' ' ' LEU . 27.4 mt -59.3 151.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -137.72 158.48 71.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 81.04 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.98 -26.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 m -66.27 -176.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 m -134.51 132.72 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -113.28 154.05 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.84 134.89 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.25 129.24 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -115.92 126.96 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 mmm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.4 t-105 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -131.86 143.36 50.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.52 156.45 46.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.7 155.27 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.26 139.05 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 18.7 mmmt -136.55 140.45 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 4.8 tp -88.47 110.73 21.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -59.85 -31.34 69.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.12 -36.51 84.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 39.0 mt-30 -128.07 94.48 36.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.739 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.5 Cg_endo -69.78 -4.23 13.61 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.02 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -49.65 156.15 1.25 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.9 Cg_endo -69.71 151.59 69.41 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.08 147.3 34.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 m -126.31 117.01 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -82.86 124.64 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.915 HD21 ' CB ' ' A' ' 53' ' ' LEU . 13.7 tp -105.09 121.65 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.87 98.93 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.9 pp -66.8 150.33 97.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 39.3 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.76 77.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.63 -28.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.5 m-85 -54.24 157.54 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 p -110.07 127.33 54.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 77' ' ' LEU . 51.5 mm -38.04 -41.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -45.45 -55.35 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' HD11 ' A' ' 53' ' ' LEU . 11.3 t80 -45.05 -63.48 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.0 mt -45.88 -56.21 5.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -40.02 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 50' ' ' LEU . 23.5 mt-30 -86.81 -43.65 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.915 ' CB ' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -58.98 -45.15 91.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.77 HG13 HD22 ' A' ' 30' ' ' LEU . 4.6 mp -68.32 -64.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.48 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.52 -25.27 65.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -94.25 -24.16 17.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 mt -102.29 29.71 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -52.17 -16.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.83 -32.65 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.4 -48.04 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.111 HG13 HG21 ' A' ' 68' ' ' ILE . 4.6 t -83.95 116.99 67.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.03 150.63 39.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.82 33.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.69 -30.32 15.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.51 15.96 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.111 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -137.97 176.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -139.04 154.43 48.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 77' ' ' LEU . 15.6 tp -107.26 124.96 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.7 mm -112.35 129.52 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.872 ' HB3' HD21 ' A' ' 77' ' ' LEU . 71.4 t80 -140.46 142.79 35.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 5.9 m 51.98 28.79 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.52 70.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -151.82 132.66 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.95 153.63 20.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' A' ' 72' ' ' TYR . 9.7 mt -116.01 116.45 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -71.81 157.71 37.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.13 -3.42 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -96.29 -0.46 49.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.528 ' CD ' ' CE1' ' A' ' 85' ' ' PHE . 33.6 mm-40 -109.02 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 p -128.45 178.06 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -61.8 -53.29 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.98 -42.52 99.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' ' CD ' ' A' ' 81' ' ' GLN . 38.0 t80 -47.97 -36.54 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -94.52 -31.98 13.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 98.88 46.03 2.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 72' ' ' TYR . 28.8 mt -97.42 145.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 111.179 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.66 160.52 60.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.12 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.56 -22.35 2.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -67.18 177.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 m -130.44 129.65 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 m -106.26 156.71 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 87.8 m-70 -121.98 126.82 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.2 t -86.65 152.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -135.6 117.94 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.614 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.7 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t-105 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.796 0.332 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -131.19 164.43 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.56 161.0 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -101.57 152.07 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 58' ' ' LEU . 96.2 t -134.73 133.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.7 129.7 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' HG3' ' A' ' 22' ' ' GLN . 9.5 tp -77.11 109.8 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.02 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.99 -32.38 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.655 ' HG3' HD23 ' A' ' 19' ' ' LEU . 32.2 mt-30 -128.02 92.94 40.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.38 18.46 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.05 -27.41 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.3 148.4 23.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.687 . . . . 0.0 111.162 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.14 66.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HE2' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -74.62 147.04 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -121.15 152.63 38.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HE2' ' A' ' 27' ' ' LYS . 21.5 mm -112.21 124.34 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 54' ' ' ILE . 18.7 tp -104.35 152.05 22.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -132.22 97.83 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' PRO . 3.9 pp -68.82 151.42 97.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.803 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD11 ' CD2' ' A' ' 13' ' ' TRP . 1.6 mt . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.828 0.346 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.88 86.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.24 -23.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 82' ' ' THR . 23.7 m-85 -62.18 131.95 51.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ILE . 17.8 m -88.07 130.5 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 20.4 mm -37.56 -42.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.2 -54.89 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.548 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.8 t80 -40.79 -64.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -47.01 -57.86 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -43.79 -22.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 20.3 mt-30 -90.33 -43.36 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.0 mp -63.43 -58.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 50' ' ' LEU . 4.6 mp -55.26 -50.0 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.22 -25.19 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.15 -23.56 56.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.8 mmmp? -87.65 -33.54 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 17' ' ' VAL . 9.6 mt -98.55 26.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -49.35 -18.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.98 -35.93 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -113.44 -41.24 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 68' ' ' ILE . 66.7 t -76.84 115.45 48.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' CD ' ' HD3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.01 144.95 31.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.77 -11.44 30.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.0 -33.41 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.79 22.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.676 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -135.88 153.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.89 157.15 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.69 129.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.31 131.77 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.542 ' HB3' HD21 ' A' ' 77' ' ' LEU . 84.8 t80 -142.73 140.89 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.8 m 53.48 27.64 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.02 20.38 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.61 128.88 21.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 3.4 tmmm? -65.56 146.64 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.0 mt -110.5 124.47 51.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -73.19 165.67 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.92 0.28 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -95.58 -13.29 24.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -95.01 176.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 45' ' ' TYR . 8.7 p -134.03 170.65 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.62 -42.17 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.03 -45.09 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -47.71 -39.11 16.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -94.57 -25.09 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.13 39.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 17.5 mt -60.45 154.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 47.2 mm-40 -120.83 149.52 50.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.74 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.75 5.15 16.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.1 m -93.18 177.41 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.463 HG23 ' CB ' ' A' ' 16' ' ' ALA . 3.4 m -130.63 129.97 43.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.34 161.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -118.62 145.53 45.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 125.9 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.3 124.69 51.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.605 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.0 mtm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.7 t-105 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.805 0.336 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -127.78 158.37 37.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.804 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.27 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -95.46 148.91 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.34 136.81 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -140.47 137.1 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -87.03 114.27 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -63.25 -22.58 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -79.04 -32.46 44.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -127.38 88.77 53.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.46 -30.31 13.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.39 150.85 11.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.048 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.09 59.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -70.79 156.42 39.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -129.2 140.28 51.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -95.88 124.06 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.7 tp -109.37 135.11 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -121.74 104.71 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.5 pp -73.14 150.08 89.76 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' GLY . 1.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.99 60.91 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -35.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 25.2 m-85 -54.32 132.79 44.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 3.2 m -85.36 134.52 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.1 mm -37.78 -50.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -43.69 -48.22 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 53' ' ' LEU . 12.1 t80 -42.27 -61.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.2 mt -46.92 -57.28 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.06 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.3 mt-30 -84.94 -48.14 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.666 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.3 mp -59.38 -47.78 84.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 96' ' ' VAL . 2.6 mp -64.55 -41.8 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -62.55 -19.96 64.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.18 -24.43 40.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -93.05 -29.46 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -98.57 25.43 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.5 -15.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.7 -33.88 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -118.35 -48.52 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG13 HG21 ' A' ' 68' ' ' ILE . 76.5 t -67.56 116.37 36.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 151.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.76 -20.86 34.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -88.92 -29.26 19.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -85.68 12.84 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -134.97 167.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -135.58 167.97 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.4 tp -114.18 136.64 52.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 76' ' ' LYS . 37.7 mm -119.86 128.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.62 ' HB3' HD21 ' A' ' 77' ' ' LEU . 44.6 t80 -137.93 135.87 36.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.9 t 60.72 28.15 17.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.27 23.97 72.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -152.85 137.11 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.0 ttmp? -66.82 159.57 27.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 6.5 mt -119.41 126.48 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -64.13 161.23 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -2.81 55.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.8 4.12 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -107.12 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -126.33 167.71 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.78 -47.67 64.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -67.25 -44.28 79.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.04 -43.55 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.88 -26.33 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.31 28.22 20.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.3 mt -59.47 128.97 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -93.65 151.09 39.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.81 8.77 12.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.5 m -96.15 173.08 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.8 m -124.48 140.07 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -115.33 139.3 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -106.38 135.39 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 54' ' ' ILE . 41.0 t -96.55 138.12 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.5 tm? -127.86 120.9 28.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 97' ' ' LEU . 39.5 mtm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.548 ' NE1' HD21 ' A' ' 32' ' ' LEU . 2.5 t-105 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HD2' HD12 ' A' ' 29' ' ' ILE . 12.2 p-80 -131.84 154.59 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.86 152.99 49.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -91.1 127.28 36.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.2 t -112.3 132.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -129.39 129.83 45.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.34 104.69 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -53.4 -35.76 60.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.75 -39.77 85.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 53.3 mt-30 -128.06 98.96 25.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.7 Cg_endo -69.75 -7.43 21.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.87 -30.86 12.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.31 149.63 0.94 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 143.07 49.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 5.0 ttpm? -67.53 141.6 56.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -122.12 112.57 18.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD12 ' HD2' ' A' ' 14' ' ' HIS . 38.7 mm -74.48 130.83 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 54' ' ' ILE . 10.1 tp -108.92 150.78 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 40.6 mt-30 -127.42 110.53 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.2 pp -86.58 149.74 49.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.74 71.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.04 -26.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 10.5 m-85 -61.23 130.11 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.995 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' ILE . 2.6 m -81.21 126.58 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.516 HG22 ' HD2' ' A' ' 51' ' ' LYS . 42.5 mm -33.57 -50.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -51.52 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.736 ' O ' HD12 ' A' ' 53' ' ' LEU . 46.9 t80 -43.68 -52.64 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 83' ' ' LEU . 16.7 mt -60.47 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD2' HG22 ' A' ' 47' ' ' ILE . 13.1 mtpt -48.6 -18.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -89.16 -46.83 8.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.4 mp -60.85 -50.72 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 50' ' ' LEU . 4.4 mp -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -55.8 -35.51 66.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.11 -25.82 67.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.71 -30.28 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.49 26.88 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -49.98 -18.92 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.05 -39.86 91.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -114.25 -41.86 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 68' ' ' ILE . 54.9 t -75.06 118.53 71.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.01 151.64 45.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.75 -13.05 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -93.07 -28.25 16.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.42 21.66 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -141.95 172.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -143.71 172.83 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -118.54 136.18 53.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -120.52 131.84 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.775 ' HD2' HG12 ' A' ' 94' ' ' VAL . 60.5 t80 -142.72 150.02 39.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.7 t 45.29 38.64 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.4 35.98 91.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.7 ptm85 -158.98 141.51 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -68.58 147.1 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 72' ' ' TYR . 39.2 mt -106.51 116.53 32.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -78.06 161.41 27.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -78.94 -6.35 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.35 24.5 3.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 mp0 -138.27 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -123.78 167.76 13.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 50' ' ' LEU . 1.9 mm? -54.59 -40.81 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.79 -53.98 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' GLN . 90.0 t80 -41.08 -40.31 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' HD2' HD11 ' A' ' 47' ' ' ILE . 9.9 m-85 -85.17 -31.09 23.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 94.41 45.86 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.13 144.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -130.7 160.57 65.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 80.93 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.74 -20.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -66.97 177.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.439 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -126.17 123.83 39.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.7 m -108.43 157.78 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -118.32 125.6 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.567 ' CG2' HG21 ' A' ' 54' ' ' ILE . 51.7 t -87.25 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -136.46 117.65 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.539 ' CH2' ' HD3' ' A' ' 90' ' ' PRO . 6.8 t-105 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -127.32 153.45 46.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.39 152.83 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -93.14 149.77 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -130.75 132.77 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -134.29 145.96 49.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 22' ' ' GLN . 2.1 tp -95.01 126.09 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -76.31 -16.67 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -89.91 -26.17 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.478 ' N ' HD23 ' A' ' 19' ' ' LEU . 68.0 mt-30 -131.93 85.68 50.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.87 19.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.66 -26.16 15.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.51 149.26 51.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.65 36.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 6.9 ttpm? -61.13 154.97 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -129.65 134.22 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.7 131.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.685 HD22 HG13 ' A' ' 54' ' ' ILE . 14.8 tp -111.68 136.05 51.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.4 98.22 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.9 pp -73.25 152.22 90.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.819 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 45' ' ' TYR . 29.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.89 71.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.91 -36.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.0 m-85 -56.13 147.73 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -102.93 136.28 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.39 -48.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 t -39.73 -52.15 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.769 ' CE2' HD11 ' A' ' 53' ' ' LEU . 24.8 t80 -49.39 -60.23 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -46.14 -58.59 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -42.32 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' LEU . 17.4 mt-30 -84.58 -49.92 8.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -55.85 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.685 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -55.94 -48.4 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -29.5 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.43 76.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -95.95 -40.82 9.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' GLU . 13.8 mt -70.49 -0.49 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -31.66 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt-20 -43.41 -51.59 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -112.38 -33.53 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.88 116.01 56.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.88 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -150.6 156.38 36.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.55 34.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -86.27 -28.17 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.74 8.54 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.7 pp -140.91 153.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' CG ' ' HB3' ' A' ' 97' ' ' LEU . 2.1 p30 -117.61 173.29 6.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' HD13 ' A' ' 71' ' ' ILE . 7.0 tp -113.71 132.07 55.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' LEU . 27.5 mm -121.45 127.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.821 ' HB3' HD21 ' A' ' 77' ' ' LEU . 12.5 t80 -142.44 144.86 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 42.2 t 51.64 34.73 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.79 33.05 86.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -160.22 129.96 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -55.11 151.6 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 72' ' ' TYR . 19.4 mt -112.42 111.15 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -63.06 163.14 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.73 2.59 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -101.3 -4.38 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -97.4 -177.97 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -138.13 164.52 28.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -51.48 -39.9 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -50.37 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -43.16 -34.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD2' HD22 ' A' ' 77' ' ' LEU . 18.4 m-85 -97.97 -28.49 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.71 48.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.5 mt -52.4 147.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -134.29 161.39 64.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.539 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.7 3.04 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.31 -3.47 19.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m -89.6 174.55 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 85.8 m -130.47 130.54 44.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.559 HG12 ' HD2' ' A' ' 72' ' ' TYR . 8.0 m -106.38 137.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -97.29 145.76 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 52.8 t -105.11 148.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -123.46 135.88 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' HD13 ' A' ' 97' ' ' LEU . 24.5 mmm-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.523 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.0 t-105 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -130.64 153.01 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.65 156.01 44.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.65 146.73 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.99 134.13 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -135.38 129.51 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 22' ' ' GLN . 3.8 tp -79.57 113.29 17.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.51 84.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.26 -35.24 79.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.591 ' HB2' HD23 ' A' ' 19' ' ' LEU . 40.1 mt-30 -125.18 91.01 49.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.3 32.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -92.62 -27.41 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.92 153.01 4.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.36 68.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.03 155.14 38.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -131.97 125.45 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.43 119.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.8 tp -102.99 130.33 50.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -110.56 99.77 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.85 153.23 95.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 19.9 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.88 81.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.73 -31.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE2' HD13 ' A' ' 42' ' ' LEU . 13.4 m-85 -52.72 135.87 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.3 p -88.73 126.55 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.9 mm -35.69 -37.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -49.63 -53.12 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 11.5 t80 -43.82 -62.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -47.03 -57.61 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -43.21 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.4 mt-30 -89.09 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -52.85 -54.5 33.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 96' ' ' VAL . 4.4 mp -58.37 -53.3 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.17 -35.94 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -27.08 70.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -88.28 -30.76 19.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -101.36 28.81 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.55 -16.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.7 pt-20 -66.03 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.7 m -115.67 -43.02 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 63.9 t -76.83 119.78 78.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -150.2 149.36 26.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.66 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.88 -26.08 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.96 20.12 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.8 pp -141.55 169.85 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -138.64 -179.31 5.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.9 tp -125.25 137.71 54.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -120.29 132.24 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.789 ' HD2' HG12 ' A' ' 94' ' ' VAL . 55.4 t80 -142.83 143.77 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.448 ' HG ' ' HG2' ' A' ' 75' ' ' ARG . 1.5 p 49.71 25.77 1.61 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.88 59.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG2' ' HG ' ' A' ' 73' ' ' CYS . 1.8 ptp180 -147.85 132.59 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 128.45 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 7.5 mt -94.25 114.58 26.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 81' ' ' GLN . 14.8 pttt -64.45 176.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.31 9.37 38.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -105.1 -1.11 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 85' ' ' PHE . 14.9 mm-40 -102.42 172.18 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' LEU . 8.8 p -129.64 150.13 51.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.9 mm? -37.46 -40.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.91 -49.79 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 81' ' ' GLN . 5.1 t80 -41.35 -41.63 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 15.6 m-85 -89.55 -24.39 21.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.03 23.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.9 130.23 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -106.3 154.69 39.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.75 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.57 -13.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.5 p -71.26 -175.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -127.06 132.46 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.789 HG12 ' HD2' ' A' ' 72' ' ' TYR . 30.9 m -120.7 128.04 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.93 133.1 35.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 54' ' ' ILE . 25.2 t -97.38 130.64 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -124.13 119.44 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.534 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.5 ptt-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 2.0 t-105 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -129.31 164.81 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -150.56 157.09 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -96.97 153.0 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.09 137.73 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -139.19 149.28 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.5 tp -97.28 114.8 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.84 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.45 -25.22 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' HD23 ' A' ' 19' ' ' LEU . 30.3 mt-30 -134.07 87.17 35.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.27 15.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.16 -25.12 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 148.7 7.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 111.076 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.05 7.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -43.44 148.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -124.02 135.23 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mm -100.71 130.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 53' ' ' LEU . 13.3 tp -114.15 148.56 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.38 102.5 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 42' ' ' LEU . 2.7 pp -69.93 152.31 95.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.881 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 32' ' ' LEU . 23.4 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.343 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.81 76.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.0 -26.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.51 136.67 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ILE . 51.5 m -91.98 126.96 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . 40.0 mm -34.73 -49.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -39.87 -58.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CE2' HD11 ' A' ' 53' ' ' LEU . 16.6 t80 -44.05 -55.22 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.76 -51.6 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -53.22 -15.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -90.73 -47.57 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.844 ' HB3' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -56.88 -58.11 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -59.41 -42.26 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -23.49 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.47 -18.89 54.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -93.23 -34.68 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.08 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.36 -19.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.26 -35.72 74.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -119.95 -40.38 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 68' ' ' ILE . 47.3 t -76.54 117.62 65.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.21 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.42 156.15 39.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.69 35.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.08 -26.39 22.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.2 18.71 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.401 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.22 166.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -135.75 156.31 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -106.31 132.71 52.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.96 129.28 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.475 ' HB3' HD21 ' A' ' 77' ' ' LEU . 41.3 t80 -141.61 135.02 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.9 t 64.16 30.11 13.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.59 77.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.11 140.43 30.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -69.92 148.55 48.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 72' ' ' TYR . 18.1 mt -107.69 136.55 47.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -92.93 161.08 14.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -76.3 -7.63 55.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.14 -1.44 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.517 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 18.6 mm-40 -108.37 176.82 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -138.19 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.3 mm? -62.1 -39.23 91.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -39.38 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 11.0 t80 -48.59 -42.71 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.76 -32.69 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.07 23.11 13.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.36 132.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -100.7 152.18 37.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.554 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 2.18 3.78 Favored 'Trans proline' 0 C--O 1.23 0.116 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.22 5.4 23.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.11 -174.74 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.43 . . . . 0.0 110.85 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.432 HG23 ' CB ' ' A' ' 16' ' ' ALA . 4.6 m -134.76 136.19 42.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.67 148.14 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -109.72 149.07 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.76 124.45 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.71 123.96 49.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.572 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.9 mmm-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 t-105 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -128.22 164.43 22.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.14 160.0 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -105.36 154.08 20.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' LYS . 69.2 t -137.65 154.3 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.9 mmmm -148.91 130.96 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 22' ' ' GLN . 19.6 tp -80.86 98.94 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -52.7 -34.13 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.15 -36.82 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HD23 ' A' ' 19' ' ' LEU . 32.0 mt-30 -125.5 93.77 44.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.68 37.16 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.32 -27.43 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.85 146.14 95.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.52 21.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -86.35 142.69 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 m -119.99 131.68 55.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.3 mm -89.19 137.35 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG13 ' A' ' 54' ' ' ILE . 5.6 tp -124.87 132.76 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -112.63 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -79.34 153.08 76.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 13' ' ' TRP . 6.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.4 70.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.65 -30.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' A' ' 42' ' ' LEU . 16.9 m-85 -53.17 128.73 28.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.354 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ILE . 4.0 m -89.31 127.46 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' SER . 47.2 mm -33.91 -49.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -44.96 -49.76 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 37.1 t80 -42.1 -64.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 54' ' ' ILE . 30.8 mt -48.92 -55.49 11.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -43.76 -22.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.7 mt-30 -86.75 -48.23 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.2 mp -58.92 -57.18 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 HD22 ' A' ' 30' ' ' LEU . 5.1 mp -52.9 -45.63 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.87 81.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.95 79.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -96.91 -33.63 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.1 mt -97.56 28.32 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.05 -16.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.5 pt-20 -66.96 -35.26 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 5.1 m -115.31 -43.8 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.503 HG13 HG21 ' A' ' 68' ' ' ILE . 71.8 t -75.51 122.81 87.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -154.9 153.63 27.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.75 25.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.18 -27.48 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.3 mt -87.8 19.9 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -145.05 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.11 174.02 8.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' HD13 ' A' ' 71' ' ' ILE . 12.8 tp -119.8 139.54 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 70' ' ' LEU . 38.8 mm -126.13 134.54 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.595 ' HB3' HD21 ' A' ' 77' ' ' LEU . 73.1 t80 -143.02 150.47 39.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 72' ' ' TYR . 2.3 t 42.28 38.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.64 35.67 92.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -159.48 136.14 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 tmmm? -67.66 148.41 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 72' ' ' TYR . 10.8 mt -112.87 122.11 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 163.31 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.46 -21.71 48.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.34 -12.82 58.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -84.54 167.14 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -127.67 178.48 6.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.48 -44.88 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' PHE . 11.0 t70 -67.63 -51.8 45.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ASP . 26.6 t80 -36.08 -41.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.01 -30.1 14.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.14 30.39 11.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.92 152.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.53 155.3 50.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 27.92 5.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 m -110.92 169.41 8.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 m -120.26 120.52 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.484 HG12 ' HD1' ' A' ' 72' ' ' TYR . 25.1 m -103.7 141.57 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -104.25 154.23 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.8 t -110.85 134.67 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.09 119.06 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 5.1 t-105 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -131.83 149.5 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.09 159.21 42.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.24 150.55 21.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.28 124.94 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -126.99 139.81 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 22' ' ' GLN . 9.7 tp -88.39 123.2 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.65 -22.48 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.03 -32.25 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.739 ' HB2' HD23 ' A' ' 19' ' ' LEU . 57.6 mt-30 -127.8 90.08 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.97 -29.65 14.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.54 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.17 53.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -63.42 148.21 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -121.39 117.3 26.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.09 128.26 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 tp -112.78 141.42 46.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -130.69 107.07 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -69.84 151.87 96.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 45' ' ' TYR . 42.1 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.8 41.96 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -33.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 42' ' ' LEU . 22.7 m-85 -53.32 139.9 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.955 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -91.43 131.63 36.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -39.59 -43.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -47.33 -51.24 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 53' ' ' LEU . 13.0 t80 -42.54 -65.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 54' ' ' ILE . 27.2 mt -46.77 -55.92 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -43.88 -22.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.4 mt-30 -89.61 -45.78 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -59.71 -44.51 93.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 96' ' ' VAL . 4.0 mp -64.37 -52.83 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -57.56 -26.94 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.89 -28.88 53.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -87.87 -34.88 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.334 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -97.1 25.89 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -51.91 -16.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.02 -33.36 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -114.05 -42.83 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 70.7 t -84.38 118.78 71.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.02 149.96 51.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.505 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -20.77 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -84.38 -26.25 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.1 mt -86.94 10.7 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.9 pt -129.55 177.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 1.3 p30 -150.76 153.37 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 94' ' ' VAL . 8.7 tp -100.47 129.73 46.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 76' ' ' LYS . 31.0 mm -113.37 124.46 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t80 -138.52 150.51 46.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 6.0 t 48.82 30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.44 71.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -154.82 137.24 14.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.2 ttpp -61.77 152.04 32.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 72' ' ' TYR . 23.1 mt -113.44 114.26 26.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -64.23 155.81 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -86.6 27.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -126.2 7.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -115.6 -177.74 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.531 ' OG1' ' CD1' ' A' ' 85' ' ' PHE . 67.6 p -130.16 172.16 12.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.67 -36.66 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.46 -43.04 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 3.6 m-30 -43.5 -54.41 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.39 -28.49 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.83 18.08 26.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.42 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.0 mt -60.16 132.25 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -119.53 159.26 46.71 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.586 0.707 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 90.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.73 -16.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -69.82 -176.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 m -134.88 116.74 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 70' ' ' LEU . 3.7 m -102.16 156.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -115.82 131.8 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.557 ' CG2' HG21 ' A' ' 54' ' ' ILE . 71.9 t -84.96 145.68 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -128.59 140.88 51.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 97' ' ' LEU . 23.4 mmm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.532 ' NE1' HD21 ' A' ' 32' ' ' LEU . 9.2 t-105 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -131.0 158.89 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 7.6 tp -145.89 153.68 41.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -96.29 152.74 18.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 54' ' ' ILE . 53.8 t -139.51 135.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -132.02 143.37 50.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 22' ' ' GLN . 7.9 tp -85.58 113.87 22.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -67.1 -27.52 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -81.64 -29.05 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.561 ' HB2' HD23 ' A' ' 19' ' ' LEU . 21.8 mt-30 -124.86 88.81 53.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.22 15.69 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.83 -30.69 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 154.13 3.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.33 27.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -85.26 150.51 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -122.52 115.56 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.69 114.18 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.74 HD22 HG13 ' A' ' 54' ' ' ILE . 6.5 tp -105.17 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -127.74 103.26 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.3 pp -63.99 152.01 88.39 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.733 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CE1' ' A' ' 45' ' ' TYR . 12.5 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.68 68.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.88 -28.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -53.79 142.87 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ILE . 84.4 p -95.58 126.72 41.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 51' ' ' LYS . 28.3 mm -35.5 -49.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -39.73 -55.0 2.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.4 t80 -42.04 -66.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 54' ' ' ILE . 15.9 mt -45.66 -57.18 4.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.5 ' HD2' HG22 ' A' ' 47' ' ' ILE . 27.4 mttt -40.85 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.9 mt-30 -86.83 -44.27 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.4 mp -62.78 -50.85 69.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.74 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -59.47 -49.38 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -53.84 -29.93 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -27.19 71.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -87.61 -38.51 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.1 mt -74.59 0.48 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -31.82 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' LEU . 15.3 pt-20 -41.22 -50.81 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 2.0 m -116.34 -32.24 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 68' ' ' ILE . 63.2 t -78.72 112.16 24.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.64 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.2 153.86 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.537 0.684 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -21.48 33.54 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.61 -28.29 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -139.96 -179.39 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -147.53 161.26 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 94' ' ' VAL . 12.4 tp -116.38 128.22 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.5 133.85 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.757 ' HB3' HD21 ' A' ' 77' ' ' LEU . 23.0 t80 -143.17 150.93 40.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 35.5 t 45.29 38.57 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.59 80.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 9.5 ptp180 -155.1 140.85 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.85 140.66 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 72' ' ' TYR . 45.1 mt -100.29 113.75 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.42 157.88 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -28.29 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.1 -20.07 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -85.65 171.78 11.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.2 p -132.5 169.96 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -57.71 -35.94 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.49 -47.02 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -40.63 -47.44 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CE1' ' HD2' ' A' ' 75' ' ' ARG . 46.1 m-85 -88.63 -34.3 17.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.89 16.71 18.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.95 146.52 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 mt-30 -132.36 161.68 61.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.523 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.37 11.8 14.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 m -103.2 173.51 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.41 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -129.61 133.63 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.59 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.9 m -107.76 166.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.58 132.31 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.5 t -94.03 141.86 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -126.41 122.04 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.604 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.6 mtt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.633 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.0 t-105 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -128.87 131.63 47.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 11.2 tp -123.28 157.81 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 153.48 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.22 121.94 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -117.69 157.62 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 22' ' ' GLN . 16.5 tp -106.24 103.57 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.98 69.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -67.68 -29.57 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.689 ' HB2' HD23 ' A' ' 19' ' ' LEU . 64.7 mt-30 -133.9 88.43 32.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -8.19 22.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.54 -28.81 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -58.31 160.2 9.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.8 Cg_endo -69.78 172.6 12.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -96.85 155.4 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -127.78 143.25 51.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -106.68 133.88 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.716 HD22 HG13 ' A' ' 54' ' ' ILE . 8.9 tp -119.8 144.96 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -122.15 102.16 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -71.53 151.45 93.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.58 58.64 2.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.84 -31.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 29.6 m-85 -60.97 141.34 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.967 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.3 m -92.66 129.13 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 24.2 mm -34.25 -51.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -45.17 -48.03 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 35.4 t80 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 54' ' ' ILE . 22.3 mt -52.32 -53.63 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -43.64 -23.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -84.7 -50.72 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mp -56.8 -51.47 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.716 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.27 69.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.64 -19.17 72.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -99.02 -36.69 9.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.536 HD11 HG21 ' A' ' 96' ' ' VAL . 36.2 mt -74.0 2.2 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -32.54 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.3 pp20? -44.39 -50.95 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -115.13 -34.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 HG21 ' A' ' 68' ' ' ILE . 25.7 t -79.5 112.19 26.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -142.65 154.48 62.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.96 32.89 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -85.8 -25.23 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.38 19.17 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.433 HG21 HG22 ' A' ' 62' ' ' VAL . 2.6 pp -143.56 177.85 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -139.29 -175.9 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -136.17 130.03 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 23.1 mm -121.59 131.31 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.609 ' HB3' HD21 ' A' ' 77' ' ' LEU . 3.7 t80 -142.76 129.95 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.2 t 69.36 30.87 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.21 31.86 68.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.2 ptm85 -160.47 144.01 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 9.0 ttmt -71.03 157.57 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.3 mt -118.24 125.46 50.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 165.35 25.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -88.68 21.64 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.42 8.19 10.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 6.0 mm-40 -115.9 168.78 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 p -119.95 170.03 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -56.39 -41.46 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.77 -37.34 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 5.2 t80 -51.98 -46.22 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 13.8 m-85 -84.41 -32.22 24.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.43 21.47 9.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.8 mt -66.15 146.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt-30 -131.09 161.61 60.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.3 2.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.366 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.98 20.37 6.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 m -134.84 134.39 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -113.3 132.04 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.25 120.59 33.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 58' ' ' LEU . 24.0 t -84.19 131.43 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 118.06 27.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.3 t-105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.48 134.0 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 tp -119.53 155.37 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.61 138.37 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 54' ' ' ILE . 68.5 t -124.36 146.26 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -147.28 130.99 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 16.1 tp -78.45 106.05 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.95 -37.44 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 26.8 mt-30 -122.66 95.37 46.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -11.6 31.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.46 -35.38 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.91 148.53 3.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -86.71 146.29 26.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -122.13 107.48 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -73.89 123.52 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.782 HD22 HG13 ' A' ' 54' ' ' ILE . 12.0 tp -102.91 144.81 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.56 99.77 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.3 pp -72.5 152.67 91.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.4 mt . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.13 71.01 0.14 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.11 -28.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 13.0 m-85 -64.39 124.31 21.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 82' ' ' THR . 49.6 p -81.39 128.05 33.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.6 mm -34.12 -44.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 79' ' ' ASP . 33.7 t -47.47 -51.86 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 53' ' ' LEU . 46.0 t80 -46.07 -65.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LEU . 16.8 mt -44.12 -58.18 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -38.41 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 28.4 mt-30 -81.68 -41.57 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.2 mp -65.43 -56.19 13.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.782 HG13 HD22 ' A' ' 30' ' ' LEU . 5.2 mp -56.49 -52.49 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.0 -30.82 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.68 -22.76 78.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -94.16 -37.27 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 17' ' ' VAL . 25.5 mt -74.41 2.59 9.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -32.73 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.8 pp20? -38.79 -47.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 2.9 m -121.1 -29.28 4.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 68' ' ' ILE . 95.6 t -79.08 111.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -145.07 153.28 53.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.0 37.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -86.76 -29.87 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.76 22.8 2.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.714 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.8 pp -142.81 176.99 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.12 172.83 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.17 133.51 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.9 mm -124.6 135.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' HD21 ' A' ' 77' ' ' LEU . 63.8 t80 -143.0 139.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.442 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 52.08 35.87 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.83 20.97 72.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 31.3 ptt180 -141.91 133.68 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 140.47 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 72' ' ' TYR . 21.4 mt -101.63 127.61 48.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -84.42 159.53 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 97.6 m-20 -71.18 -21.63 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.67 -18.4 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 3.6 mp0 -92.4 178.07 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 46' ' ' SER . 40.5 p -140.77 -175.18 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 mm? -62.75 -51.98 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' PHE . 9.6 t70 -67.55 -43.39 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -36.94 -45.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 81' ' ' GLN . 60.4 m-85 -94.19 -35.19 12.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.95 34.36 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -71.28 147.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -122.46 154.02 62.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.73 89.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.26 -22.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.7 p -63.82 -179.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 m -132.65 124.48 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.92 156.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 90.2 m-70 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -98.87 133.83 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.2 117.6 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.714 ' HG2' HG22 ' A' ' 68' ' ' ILE . 24.6 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.67 ' CD1' HD21 ' A' ' 32' ' ' LEU . 6.9 t-105 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -131.68 149.42 52.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -133.07 159.69 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -100.03 143.64 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 58' ' ' LEU . 90.0 t -122.27 132.36 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -133.17 140.2 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.9 tp -91.49 106.37 18.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.61 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.89 -28.11 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.603 ' HG3' HD23 ' A' ' 19' ' ' LEU . 38.8 mt-30 -128.87 88.48 51.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.38 18.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.49 -30.6 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.17 148.59 2.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.5 17.69 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 21.2 ttpt -59.21 139.82 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -118.94 138.24 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.2 135.02 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 54' ' ' ILE . 33.4 tp -106.72 146.7 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -129.36 107.93 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -79.22 150.78 74.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.457 HD13 ' CD2' ' A' ' 45' ' ' TYR . 10.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.2 59.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.27 -28.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CD2' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -62.03 130.41 45.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.2 m -86.39 129.13 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' SER . 36.2 mm -36.22 -48.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -39.51 -53.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.805 ' CE2' HD11 ' A' ' 53' ' ' LEU . 26.9 t80 -47.16 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 53' ' ' LEU . 17.3 mt -46.22 -56.25 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -41.46 -24.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' LEU . 18.2 mt-30 -88.38 -47.13 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.9 mp -53.66 -49.03 68.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -63.1 -55.45 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -49.67 -33.95 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -28.94 66.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -85.13 -26.18 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' A' ' 17' ' ' VAL . 25.3 mt -102.75 24.97 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.06 -15.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.28 -35.72 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -119.26 -43.61 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -72.21 120.69 81.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -152.4 152.09 28.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.84 -15.41 36.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.5 -29.62 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -87.36 14.55 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.03 167.46 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -131.46 164.79 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 tp -112.35 141.02 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 76' ' ' LYS . 11.0 mm -129.77 131.6 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 77' ' ' LEU . 80.6 t80 -139.71 145.9 38.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 50.22 28.45 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.43 26.76 69.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -149.95 134.05 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HA ' HD13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.24 148.88 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 72' ' ' TYR . 20.0 mt -111.91 124.55 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -78.11 159.13 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.56 0.5 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.99 -9.44 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 1.4 mp0 -101.58 173.35 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.8 p -131.64 -175.2 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.64 -52.51 64.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' GLY . 5.4 t70 -57.72 -56.38 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 10.2 t80 -34.45 -48.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -88.83 -25.98 21.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 83.36 25.48 47.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mt -52.78 138.98 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -107.16 153.5 41.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.27 25.43 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.4 p -105.35 179.46 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.981 0.42 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 67.3 m -134.23 140.23 46.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -118.0 162.8 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -123.79 147.87 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.73 126.41 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.532 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -117.68 119.84 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.532 ' N ' HD13 ' A' ' 97' ' ' LEU . 11.7 mtm105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.799 ' CD2' HD11 ' A' ' 42' ' ' LEU . 4.7 t-105 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -129.67 149.88 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -135.73 156.1 49.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.59 149.69 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.05 129.16 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -130.63 136.32 48.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 22' ' ' GLN . 3.3 tp -82.98 116.02 22.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.57 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 19' ' ' LEU . 32.2 mt-30 -123.23 92.17 49.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 54.1 Cg_endo -69.73 -6.96 19.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -98.74 -34.17 10.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.78 154.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.91 68.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -76.31 142.77 41.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -118.76 126.96 53.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.95 128.08 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 8.8 tp -109.86 145.47 36.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -133.74 112.65 11.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.25 154.81 76.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 13' ' ' TRP . 3.1 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.885 0.374 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 32.61 76.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.12 -31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.422 ' O ' HD23 ' A' ' 83' ' ' LEU . 11.4 m-85 -61.04 122.4 14.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -82.46 135.07 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -44.67 -46.26 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -43.73 -41.3 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.868 ' CE1' HD11 ' A' ' 53' ' ' LEU . 21.8 t80 -51.23 -61.14 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' GLN . 15.4 mt -50.5 -52.79 35.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -44.05 -22.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 50' ' ' LEU . 26.1 mt-30 -88.71 -53.15 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CE1' ' A' ' 49' ' ' PHE . 5.4 mp -57.02 -40.69 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG21 HG21 ' A' ' 96' ' ' VAL . 15.9 mt -64.75 -55.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.09 -28.77 41.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' O ' ' NE2' ' A' ' 59' ' ' GLN . . . -80.08 -25.67 57.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 17.0 mmmt -88.03 -38.04 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.81 24.5 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 20.2 mt-30 -49.92 -18.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -64.38 -34.26 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -117.67 -44.65 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 68' ' ' ILE . 96.3 t -77.44 118.13 69.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.36 154.58 36.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HA ' HD11 ' A' ' 68' ' ' ILE . 54.0 Cg_endo -69.8 -20.76 34.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -85.21 -28.21 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.48 20.83 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.796 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.6 pp -142.72 167.91 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.45 161.5 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 94' ' ' VAL . 22.1 tp -113.38 125.88 54.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mm -114.64 129.93 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.697 ' HB3' HD21 ' A' ' 77' ' ' LEU . 52.9 t80 -140.62 141.38 35.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 4.7 t 54.33 25.82 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.68 26.15 61.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -153.22 136.56 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.07 132.07 47.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.8 mt -92.34 119.27 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -66.35 159.75 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.86 28.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -122.41 -26.09 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HG3' ' CE2' ' A' ' 85' ' ' PHE . 6.2 mp0 -85.4 177.5 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 ' H ' ' CB ' ' A' ' 85' ' ' PHE . 3.0 p -128.57 173.56 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 45' ' ' TYR . 1.1 mm? -54.05 -53.5 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.28 -34.7 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' GLN . 8.4 t80 -52.18 -45.36 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -90.22 -22.64 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.69 29.45 23.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 72' ' ' TYR . 37.1 mt -65.48 155.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 21.2 mp0 -122.72 149.5 56.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.709 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.525 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.76 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.54 -11.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 p -66.02 -178.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -131.3 116.27 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 70' ' ' LEU . 3.6 m -101.62 131.3 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.8 141.65 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 54' ' ' ILE . 47.7 t -100.95 137.7 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -132.91 124.63 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.796 ' HG2' HG22 ' A' ' 68' ' ' ILE . 11.3 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.693 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.2 t-105 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.762 0.315 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -129.84 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.07 153.94 46.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -100.14 140.25 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 58' ' ' LEU . 89.4 t -121.45 125.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -120.34 138.68 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 22' ' ' GLN . 5.3 tp -91.04 102.29 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -39.41 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.07 -37.29 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.593 ' HG3' HD23 ' A' ' 19' ' ' LEU . 52.6 mt-30 -119.69 93.67 47.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.73 24.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -98.94 -34.59 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.66 151.91 0.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.72 13.96 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 16.3 ttmt -84.63 152.21 23.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.07 106.88 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.7 mm -78.75 120.92 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD12 ' NZ ' ' A' ' 57' ' ' LYS . 11.8 tp -104.1 141.87 35.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -122.15 96.48 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -63.32 151.66 86.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.655 HD13 ' CE2' ' A' ' 45' ' ' TYR . 41.6 mt . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.41 74.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.37 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.655 ' CE2' HD13 ' A' ' 42' ' ' LEU . 21.1 m-85 -49.07 138.97 11.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' ILE . 22.5 p -89.53 126.53 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.7 mm -36.78 -43.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 p -49.28 -48.03 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 53' ' ' LEU . 36.2 t80 -47.16 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' LEU . 17.7 mt -43.48 -60.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 79.3 mttt -36.31 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.3 mt-30 -79.11 -44.8 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -61.99 -51.62 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.9 mp -57.47 -56.85 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.62 -37.66 28.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -31.85 64.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' NZ ' HD12 ' A' ' 30' ' ' LEU . 10.8 mmtp -81.97 -30.15 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 17' ' ' VAL . 23.4 mt -102.27 26.03 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.7 -18.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.7 pt-20 -62.29 -39.9 94.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.4 m -113.86 -43.26 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG13 HG21 ' A' ' 68' ' ' ILE . 49.2 t -70.59 119.09 70.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.54 151.37 28.64 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -17.97 37.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -87.04 -30.85 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.69 27.07 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.74 171.27 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.69 170.88 14.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -116.46 133.19 56.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . 41.7 mm -122.5 129.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.809 ' HD2' HG12 ' A' ' 94' ' ' VAL . 33.5 t80 -142.85 140.6 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 8.3 t 55.22 37.96 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.02 31.91 82.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -158.01 135.07 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 13.2 ttpp -69.6 147.85 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 86' ' ' TYR . 9.5 mt -110.71 127.02 55.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 81' ' ' GLN . 3.4 ptpt -61.56 174.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.11 13.94 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.34 -9.89 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' CG ' ' A' ' 85' ' ' PHE . 15.0 mm-40 -88.11 -178.08 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.0 p -128.77 164.27 23.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.92 -37.2 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' PHE . 18.0 t70 -71.12 -51.14 26.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 32.4 t80 -34.02 -56.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 77' ' ' LEU . 48.8 m-85 -76.82 -30.97 56.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 96.71 37.71 4.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -81.82 133.03 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.52 155.07 44.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.521 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.8 -24.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -65.3 -175.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -131.95 118.42 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.809 HG12 ' HD2' ' A' ' 72' ' ' TYR . 13.8 m -100.66 144.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -101.85 146.64 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.497 HG21 HG21 ' A' ' 54' ' ' ILE . 47.8 t -113.12 136.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.5 tm? -128.05 121.33 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.6 t-105 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -127.44 160.21 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -145.25 159.52 42.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.623 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -100.84 147.03 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.34 123.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -120.43 151.53 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.4 tp -99.81 106.54 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -54.53 -39.19 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.64 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HG3' HD23 ' A' ' 19' ' ' LEU . 36.6 mt-30 -126.36 92.44 45.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.6 Cg_endo -69.75 -9.18 25.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -96.53 -33.33 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 149.97 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.143 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.6 67.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -73.41 140.47 46.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -105.72 159.08 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.15 123.29 68.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 tp -108.52 125.97 52.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -113.89 94.67 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -64.25 152.44 88.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 46.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.43 68.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.11 -31.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 42' ' ' LEU . 25.3 m-85 -58.98 141.57 53.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.7 m -92.99 127.77 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.6 mm -36.15 -49.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -42.2 -52.07 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.7 t80 -41.8 -65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.6 mt -46.2 -57.43 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.22 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' LEU . 24.9 mt-30 -88.26 -49.64 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.4 mp -59.6 -38.77 82.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.57 -56.29 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.43 -31.78 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.19 -31.63 46.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -80.52 -28.13 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.67 29.39 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -51.28 -16.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.49 -33.48 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -113.11 -51.79 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.015 HG13 HG21 ' A' ' 68' ' ' ILE . 2.9 t -87.74 114.27 58.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -142.06 151.19 58.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.556 ' HA ' HD11 ' A' ' 68' ' ' ILE . 53.1 Cg_endo -69.8 -24.63 29.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -77.84 -26.52 49.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.06 18.23 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.015 HG21 HG13 ' A' ' 62' ' ' VAL . 2.4 pp -144.93 172.0 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -136.34 152.59 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -103.85 126.45 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.94 132.93 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 81.7 t80 -141.84 138.04 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.463 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 3.9 m 56.94 25.14 10.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 16.57 78.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -140.45 130.26 24.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -62.01 141.85 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 72' ' ' TYR . 34.7 mt -103.26 129.47 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -96.47 161.42 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.68 5.8 10.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -90.95 -17.41 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.585 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 3.9 mp0 -109.69 -177.5 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -131.55 -179.5 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.84 -46.03 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -45.21 79.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' HG2' ' A' ' 81' ' ' GLN . 21.9 t80 -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -92.91 -21.83 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.92 36.51 11.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 22.1 mt -69.91 151.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 24.1 mp0 -119.57 151.28 51.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.3 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.58 7.23 13.83 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.89 -178.66 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.623 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.4 m -134.96 134.86 40.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -104.33 168.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 94.8 m-70 -131.18 131.48 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 t -97.39 125.17 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -107.7 126.55 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' HG22 ' A' ' 68' ' ' ILE . 5.3 mmm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -48.21 -47.55 35.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -45.21 -60.38 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.54 -160.77 14.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.53 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 t -102.53 106.54 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -140.41 134.19 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.9 85.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -66.02 170.83 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.0 m -117.32 159.2 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -86.97 128.66 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.3 p -93.88 163.43 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -86.89 -53.28 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.1 t-105 -59.36 124.78 21.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -129.06 158.98 37.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.58 152.3 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -99.4 141.87 31.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 58' ' ' LEU . 80.7 t -125.49 124.88 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.64 136.4 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HG3' ' A' ' 22' ' ' GLN . 14.8 tp -82.3 108.64 15.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -57.7 -35.75 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -67.57 -25.46 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' HG3' HD23 ' A' ' 19' ' ' LEU . 36.4 mt-30 -134.09 88.1 32.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.8 Cg_endo -69.81 -7.82 22.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -93.75 -28.71 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 148.56 60.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.87 41.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' NZ ' HD11 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -68.58 139.55 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -106.14 156.9 17.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.946 HG22 ' OE1' ' A' ' 31' ' ' GLN . 47.4 mm -106.24 120.39 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 53' ' ' LEU . 7.6 tp -105.55 116.79 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.946 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.1 mp0 -102.85 102.37 12.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.1 pp -71.19 152.85 94.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.7 173.78 10.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.375 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -84.1 160.89 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 37' ' ' LEU . 14.7 t -117.73 157.18 26.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -50.72 -23.53 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' H ' HG23 ' A' ' 35' ' ' THR . 1.3 mm? -78.63 179.89 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.8 -148.5 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -24.95 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -43.3 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' TYR . 39.7 t -34.86 111.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 45' ' ' TYR . 55.0 mt -38.87 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 43.86 56.76 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -30.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 42' ' ' LEU . 11.6 m-85 -53.38 155.79 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.1 m -114.49 129.8 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.4 mm -36.64 -53.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ILE . 6.2 t -34.58 -51.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.3 t80 -50.6 -58.19 6.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 54' ' ' ILE . 12.9 mt -49.83 -52.11 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -45.95 -22.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.56 -54.46 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.76 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -50.07 -55.33 15.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.455 HD11 HD22 ' A' ' 50' ' ' LEU . 3.5 mp -57.94 -50.21 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 -23.31 56.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.17 -25.59 51.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -90.49 -35.49 15.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD11 ' CG1' ' A' ' 17' ' ' VAL . 15.2 mt -91.02 21.82 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -50.25 -17.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.62 -36.02 82.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -116.04 -44.53 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 68' ' ' ILE . 43.9 t -73.46 121.59 85.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.28 155.63 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.918 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.56 34.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.84 -29.68 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.38 19.27 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -139.59 -175.39 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -154.73 170.4 21.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.7 tp -117.26 134.71 54.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 12.6 mm -119.67 128.24 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.737 ' HB3' HD21 ' A' ' 77' ' ' LEU . 70.9 t80 -137.26 140.6 41.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 32.2 t 58.24 27.18 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.43 16.41 80.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -142.46 138.94 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -62.37 157.42 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.9 mt -119.07 120.4 37.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.62 164.98 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.24 6.72 28.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -110.26 10.65 23.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.49 173.54 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -129.73 163.33 26.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -59.87 -35.23 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.78 -32.77 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.1 -45.99 86.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -84.01 -30.95 25.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.99 16.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.53 144.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -130.09 158.75 73.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.54 -22.07 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -67.93 -179.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.615 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.6 m -134.58 126.31 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 70' ' ' LEU . 17.7 m -102.23 166.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.06 135.98 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.3 t -91.93 135.9 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -128.9 129.04 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.632 ' N ' HD13 ' A' ' 97' ' ' LEU . 45.7 mtm180 -82.31 132.03 35.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -59.72 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -152.46 177.86 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.404 ' CD2' ' N ' ' A' ' 102' ' ' SER . 17.5 t-105 -84.93 152.05 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.404 ' N ' ' CD2' ' A' ' 101' ' ' TRP . 2.1 t -43.39 -67.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.474 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 169.95 -60.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 54.4 Cg_endo -69.75 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.411 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.0 m -49.37 127.72 15.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -167.36 120.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -50.82 -49.29 58.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -87.8 176.61 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.56 93.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.434 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -118.48 94.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -158.67 160.18 36.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.81 140.17 10.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtt -109.85 128.47 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -109.79 -179.37 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 10' ' ' LEU . 6.6 mp -113.74 165.56 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.2 m -156.46 178.39 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -119.49 -64.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 3.2 t-105 -61.55 124.6 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -130.75 159.15 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -143.01 155.97 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 92' ' ' SER . . . -102.93 150.08 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -139.63 141.92 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -136.62 125.16 23.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.809 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.7 tp -68.38 109.28 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -54.3 -37.85 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.8 -24.55 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.809 ' HG3' HD23 ' A' ' 19' ' ' LEU . 30.7 mt-30 -132.85 84.85 48.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.81 14.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.13 -27.01 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.0 154.14 2.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.49 16.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 24.2 ttpt -44.68 140.57 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -79.26 128.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 54' ' ' ILE . 14.3 tp -109.28 150.56 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -130.62 102.7 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 2.8 pp -71.9 152.19 93.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 106.78 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.647 2.232 . . . . 0.0 112.388 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -54.06 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.955 HG21 ' CE1' ' A' ' 40' ' ' TYR . 13.9 p -102.57 166.37 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -96.14 -24.69 16.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.8 mm? -86.8 14.72 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.16 119.4 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -41.46 126.13 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.955 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.1 OUTLIER -145.7 -174.96 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 71.4 p -58.34 86.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' SER . 32.1 mt -34.11 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.27 60.33 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.55 -31.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.555 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -55.88 136.13 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.7 m -96.48 131.93 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.8 mm -34.49 -53.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -39.46 -51.55 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 53' ' ' LEU . 11.1 t80 -43.91 -64.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.39 -51.74 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -47.42 -20.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -90.58 -51.75 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.5 mp -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.629 HG13 HD22 ' A' ' 30' ' ' LEU . 3.1 mp -65.38 -54.63 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.31 -18.26 67.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -99.82 -31.97 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.14 27.52 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.24 -17.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.88 -34.2 77.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -42.22 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.846 HG13 HG21 ' A' ' 68' ' ' ILE . 3.2 t -89.45 120.32 69.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.97 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.69 150.98 31.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.815 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -22.44 32.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.07 -35.04 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.46 11.05 6.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.846 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -140.34 161.22 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.02 175.61 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' O ' HD13 ' A' ' 71' ' ' ILE . 13.1 tp -116.78 138.44 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 70' ' ' LEU . 26.4 mm -123.92 126.67 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.782 ' HD1' HG12 ' A' ' 94' ' ' VAL . 59.5 t80 -141.16 146.45 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.0 t 52.14 29.34 6.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.58 27.09 71.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -149.82 140.72 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -69.04 139.79 54.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD22 ' CE2' ' A' ' 86' ' ' TYR . 23.5 mt -101.29 128.77 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -90.57 161.47 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -73.84 -2.12 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.71 3.31 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -111.12 157.36 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' LEU . 33.3 p -124.35 151.34 44.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.3 mm? -35.85 -44.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.11 -47.48 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.2 t80 -41.65 -49.95 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.651 ' CE2' HD22 ' A' ' 77' ' ' LEU . 33.0 m-85 -85.45 -26.43 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.12 30.96 18.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.12 129.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -101.62 155.25 36.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 96.46 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.24 -26.67 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.3 p -49.82 178.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.1 m -129.19 123.52 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 ' HD1' ' A' ' 72' ' ' TYR . 9.3 m -113.57 150.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -110.07 139.94 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 21.9 t -102.2 130.18 52.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -121.57 118.36 29.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.573 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.2 ptt85 -78.87 143.39 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -65.96 141.72 58.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.9 t -83.11 -52.82 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 102' ' ' SER . 6.9 t90 -77.87 154.09 32.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.569 ' O ' ' CE3' ' A' ' 101' ' ' TRP . 67.9 m -47.89 167.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.38 139.53 15.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 53.5 Cg_endo -69.82 -28.32 25.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.315 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -40.55 104.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.5 m -118.49 87.04 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -123.01 132.88 54.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -55.97 146.12 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 150.4 -110.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 47.8 p 36.46 41.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -82.56 158.77 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.38 65.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.11 40.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -125.32 112.85 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 10' ' ' LEU . 3.9 mm? -66.92 170.58 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -73.69 159.62 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.65 -52.52 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 4.8 t-105 -82.13 124.71 30.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -131.0 167.05 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -151.76 160.84 43.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.32 154.57 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 58' ' ' LEU . 98.9 t -131.49 131.45 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 5.3 mmmm -130.9 147.7 52.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -97.4 124.1 41.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.14 -30.75 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -127.26 90.03 50.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.7 -31.54 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.69 149.83 1.39 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.74 40.9 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -66.66 150.97 48.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -129.34 140.66 51.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -100.88 133.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 53' ' ' LEU . 12.2 tp -111.86 124.68 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.84 104.13 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 32' ' ' LEU . 3.2 pp -74.05 152.02 88.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 119.7 6.61 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.86 154.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 38' ' ' GLY . 4.9 t -112.18 154.15 25.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.73 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.87 -49.6 67.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' H ' HG23 ' A' ' 35' ' ' THR . . . 151.22 -169.84 30.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -95.02 -29.88 14.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -42.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LEU . 46.7 t -34.54 95.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' TYR . 10.1 mt -34.64 -56.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.78 76.69 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.56 -40.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -48.65 139.01 10.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -91.34 127.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -42.19 -42.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -42.94 -52.9 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.699 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.2 t80 -46.6 -63.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -46.97 -54.28 10.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.25 -45.74 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -57.59 -49.6 75.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 30' ' ' LEU . 3.3 mp -60.37 -54.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.78 -24.32 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.67 -18.28 68.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' HG3' HD12 ' A' ' 30' ' ' LEU . 28.8 mmtt -98.12 -32.19 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 17' ' ' VAL . 16.1 mt -96.47 22.8 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.981 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -45.95 -21.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' SER . 9.6 pt-20 -55.95 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.0 m -112.91 -39.88 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.761 HG13 HG21 ' A' ' 68' ' ' ILE . 96.0 t -81.57 112.2 32.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 143.6 41.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.8 -11.81 31.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.98 -30.32 14.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.8 mt -84.93 20.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -140.38 163.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -129.16 155.65 45.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -107.43 134.97 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mm -119.03 134.48 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.709 ' HB3' HD21 ' A' ' 77' ' ' LEU . 64.4 t80 -139.16 135.56 34.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 m 56.51 27.11 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.18 20.01 76.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -145.08 126.84 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.44 153.34 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 72' ' ' TYR . 11.4 mt -118.3 128.21 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -79.93 156.95 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 1.2 p30 -77.12 -0.43 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -96.75 -9.16 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.521 ' HG3' ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -94.37 176.52 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -136.16 161.86 34.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -47.11 -42.98 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -67.65 -51.35 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CG ' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -34.87 -49.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.58 -26.03 17.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.64 26.74 31.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.9 mt -50.4 139.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 18.7 mp0 -103.0 150.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.26 23.21 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 p -98.16 -179.75 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -134.68 127.38 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.11 174.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 93.5 m-70 -142.06 131.52 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 20.3 t -93.43 140.8 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -126.73 124.65 40.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.627 ' N ' HD13 ' A' ' 97' ' ' LEU . 5.8 mmt85 -68.15 130.3 42.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -69.75 -60.7 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 t -148.26 178.95 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -65.36 149.45 49.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -60.01 -73.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.45 83.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.617 2.211 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 t -70.04 -57.17 5.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 t -81.25 144.86 31.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -150.52 137.98 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -53.43 135.17 39.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.42 -109.14 3.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -56.55 101.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 p -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.1 -91.46 0.51 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ptm -156.93 167.46 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.7 p -46.91 166.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mp -88.35 -65.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 p -68.13 137.29 54.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.26 -50.54 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.581 ' NE1' HD21 ' A' ' 32' ' ' LEU . 3.9 t-105 -56.66 128.95 38.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -131.45 159.43 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 tp -149.71 155.92 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -96.84 155.28 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.617 HG11 HD21 ' A' ' 58' ' ' LEU . 44.9 t -137.86 134.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -140.21 125.18 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.09 126.68 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -29.44 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.29 -31.39 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.41 88.11 51.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.43 16.18 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.83 -29.03 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.62 154.12 4.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.079 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 166.28 28.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.658 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 10.1 ttmm -88.48 155.45 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.5 m -127.57 115.26 18.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.83 114.43 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' LEU . 9.6 tp -103.57 145.44 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -130.58 98.54 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 42' ' ' LEU . 4.4 pp -64.2 150.37 92.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.94 69.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.11 161.2 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -112.6 168.44 9.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.81 76.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' GLY . 4.2 mm? -69.75 92.24 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' LEU . . . 35.26 -153.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.457 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -124.7 -20.2 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -47.58 175.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' TYR . 4.4 t -36.38 112.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.809 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 32' ' ' LEU . 16.7 mt -42.25 -62.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.13 69.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.42 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.459 ' CE1' HD13 ' A' ' 42' ' ' LEU . 7.9 m-85 -53.8 150.33 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.5 m -104.26 139.23 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 77' ' ' LEU . 37.7 mm -46.29 -47.7 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -39.69 -47.53 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -50.19 -64.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -45.91 -56.84 4.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 62.6 mttt -40.6 -24.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . 14.3 mt-30 -85.98 -46.51 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 5.2 mp -59.22 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -55.42 -52.69 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -45.94 -32.47 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.55 -31.28 30.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -74.38 -30.36 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 17' ' ' VAL . 13.2 mt -100.3 24.86 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -48.37 -19.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.11 -38.32 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.93 -44.37 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.721 HG13 HG21 ' A' ' 68' ' ' ILE . 94.1 t -75.52 114.94 41.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' NH1' ' A' ' 98' ' ' ARG . 53.3 Cg_endo -69.77 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.61 154.07 47.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.7 36.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.19 -24.51 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.6 mt -92.38 21.29 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.721 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -142.37 -179.72 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -147.19 154.03 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.89 129.82 48.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.1 mm -115.79 125.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.875 ' HB3' HD21 ' A' ' 77' ' ' LEU . 82.0 t80 -133.29 135.21 44.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 5.5 t 56.55 27.35 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.64 19.72 75.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -142.94 132.37 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -62.11 153.9 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 72' ' ' TYR . 13.5 mt -114.34 129.78 56.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -81.89 158.71 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -1.17 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.92 4.2 42.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -108.1 177.53 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 p -136.68 165.26 26.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -53.82 -54.17 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -37.24 80.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 5.1 t80 -51.37 -49.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.83 -28.11 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.85 15.11 29.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 83' ' ' LEU . 27.4 mt -59.3 151.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -137.72 158.48 71.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 81.04 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.624 2.216 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 168.98 -26.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 m -66.27 -176.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 m -134.51 132.72 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -113.28 154.05 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.84 134.89 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.25 129.24 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -115.92 126.96 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 mmm180 -77.97 124.39 27.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -53.46 -46.53 69.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -54.34 124.43 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 104' ' ' PRO . 11.6 t-105 -84.77 133.3 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' TRP . 58.7 m -35.35 -59.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.19 77.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 101' ' ' TRP . 53.8 Cg_endo -69.75 100.19 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.9 t -72.92 81.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -79.79 129.98 34.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -147.74 174.17 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -80.44 169.96 17.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.44 118.22 4.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -60.63 140.98 57.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -90.3 104.58 17.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.46 -39.44 2.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 tpt -85.4 117.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -86.49 167.92 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -112.7 -64.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 p -120.14 173.26 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -105.61 -48.22 3.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.4 t-105 -69.49 126.72 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -131.86 143.36 50.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.52 156.45 46.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.7 155.27 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.9 t -140.26 139.05 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' CE1' ' A' ' 95' ' ' HIS . 18.7 mmmt -136.55 140.45 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 4.8 tp -88.47 110.73 21.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -59.85 -31.34 69.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.12 -36.51 84.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 39.0 mt-30 -128.07 94.48 36.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.739 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.5 Cg_endo -69.78 -4.23 13.61 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.02 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -49.65 156.15 1.25 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.9 Cg_endo -69.71 151.59 69.41 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.08 147.3 34.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 m -126.31 117.01 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -82.86 124.64 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.915 HD21 ' CB ' ' A' ' 53' ' ' LEU . 13.7 tp -105.09 121.65 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.87 98.93 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.9 pp -66.8 150.33 97.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.54 4.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -46.81 158.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -115.72 142.79 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -39.91 -27.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' THR . 1.9 mm? -53.17 -54.86 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.7 -176.7 29.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -85.37 -36.4 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.1 161.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' TYR . 69.1 p -34.21 109.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 39.3 mt -49.23 -62.19 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 47.76 77.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.63 -28.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.5 m-85 -54.24 157.54 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 p -110.07 127.33 54.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 77' ' ' LEU . 51.5 mm -38.04 -41.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -45.45 -55.35 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' CE2' HD11 ' A' ' 53' ' ' LEU . 11.3 t80 -45.05 -63.48 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.0 mt -45.88 -56.21 5.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -40.02 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 50' ' ' LEU . 23.5 mt-30 -86.81 -43.65 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.915 ' CB ' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -58.98 -45.15 91.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.77 HG13 HD22 ' A' ' 30' ' ' LEU . 4.6 mp -68.32 -64.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.48 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.52 -25.27 65.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -94.25 -24.16 17.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 mt -102.29 29.71 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -52.17 -16.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.83 -32.65 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.4 -48.04 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.111 HG13 HG21 ' A' ' 68' ' ' ILE . 4.6 t -83.95 116.99 67.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.03 150.63 39.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.82 33.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.69 -30.32 15.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.51 15.96 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.111 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -137.97 176.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -139.04 154.43 48.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.584 HD23 HD12 ' A' ' 77' ' ' LEU . 15.6 tp -107.26 124.96 50.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.7 mm -112.35 129.52 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.872 ' HB3' HD21 ' A' ' 77' ' ' LEU . 71.4 t80 -140.46 142.79 35.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 5.9 m 51.98 28.79 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.52 70.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -151.82 132.66 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.95 153.63 20.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' A' ' 72' ' ' TYR . 9.7 mt -116.01 116.45 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -71.81 157.71 37.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.13 -3.42 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -96.29 -0.46 49.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.528 ' CD ' ' CE1' ' A' ' 85' ' ' PHE . 33.6 mm-40 -109.02 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 p -128.45 178.06 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -61.8 -53.29 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.98 -42.52 99.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' ' CD ' ' A' ' 81' ' ' GLN . 38.0 t80 -47.97 -36.54 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -94.52 -31.98 13.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 98.88 46.03 2.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 72' ' ' TYR . 28.8 mt -97.42 145.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 111.179 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.66 160.52 60.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.12 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.56 -22.35 2.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -67.18 177.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 m -130.44 129.65 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 m -106.26 156.71 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 18' ' ' LYS . 87.8 m-70 -121.98 126.82 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.2 t -86.65 152.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -135.6 117.94 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.614 ' N ' HD13 ' A' ' 97' ' ' LEU . 25.7 mtm180 -70.81 133.32 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -74.26 106.5 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -94.83 102.84 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.408 ' NE1' ' HB2' ' A' ' 102' ' ' SER . 1.8 p90 -102.87 -35.3 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.408 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 13.6 m -155.86 -176.97 6.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -117.67 83.1 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 158.83 55.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.7 p -160.61 175.04 13.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -84.82 147.99 26.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.47 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -119.88 147.29 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.15 -158.58 27.25 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -154.44 143.03 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -137.53 126.97 24.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.43 93.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 mtm -72.49 -52.86 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -162.28 162.96 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 10' ' ' LEU . 3.1 mp -120.28 133.59 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 p -105.33 -175.8 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -128.62 -35.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t-105 -67.45 122.27 17.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -131.19 164.43 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.56 161.0 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -101.57 152.07 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 58' ' ' LEU . 96.2 t -134.73 133.09 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.7 129.7 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' HG3' ' A' ' 22' ' ' GLN . 9.5 tp -77.11 109.8 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.02 76.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.99 -32.38 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.655 ' HG3' HD23 ' A' ' 19' ' ' LEU . 32.2 mt-30 -128.02 92.94 40.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.38 18.46 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.05 -27.41 15.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.3 148.4 23.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.687 . . . . 0.0 111.162 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.14 66.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HE2' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -74.62 147.04 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -121.15 152.63 38.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HE2' ' A' ' 27' ' ' LYS . 21.5 mm -112.21 124.34 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 54' ' ' ILE . 18.7 tp -104.35 152.05 22.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -132.22 97.83 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' PRO . 3.9 pp -68.82 151.42 97.26 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.803 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 172.18 13.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 35' ' ' THR . 35.0 tt0 -75.76 157.56 33.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 15.3 t -114.34 169.33 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.582 ' HG3' HD22 ' A' ' 37' ' ' LEU . 5.9 pt-20 -50.35 -41.96 52.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD22 ' HG3' ' A' ' 36' ' ' GLU . 2.9 mm? -63.69 -72.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.0 -135.86 3.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.44 -34.26 3.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -52.4 -16.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' HD23 ' A' ' 42' ' ' LEU . 2.6 m -175.29 148.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD11 ' CD2' ' A' ' 13' ' ' TRP . 1.6 mt -114.27 -65.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.88 86.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.24 -23.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 82' ' ' THR . 23.7 m-85 -62.18 131.95 51.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ILE . 17.8 m -88.07 130.5 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 20.4 mm -37.56 -42.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.2 -54.89 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.548 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.8 t80 -40.79 -64.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 54' ' ' ILE . 18.0 mt -47.01 -57.86 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -43.79 -22.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 20.3 mt-30 -90.33 -43.36 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.0 mp -63.43 -58.09 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 50' ' ' LEU . 4.6 mp -55.26 -50.0 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -58.22 -25.19 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.15 -23.56 56.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.8 mmmp? -87.65 -33.54 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 17' ' ' VAL . 9.6 mt -98.55 26.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -49.35 -18.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.98 -35.93 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -113.44 -41.24 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 68' ' ' ILE . 66.7 t -76.84 115.45 48.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' CD ' ' HD3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.01 144.95 31.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.77 -11.44 30.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.0 -33.41 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' C ' ' HG3' ' A' ' 99' ' ' LYS . 35.0 mt -83.79 22.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.676 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -135.88 153.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -127.89 157.15 41.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.69 129.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.31 131.77 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' HB3' HD21 ' A' ' 77' ' ' LEU . 84.8 t80 -142.73 140.89 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.8 m 53.48 27.64 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.02 20.38 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.61 128.88 21.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 3.4 tmmm? -65.56 146.64 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.0 mt -110.5 124.47 51.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -73.19 165.67 24.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.92 0.28 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -95.58 -13.29 24.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -95.01 176.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 45' ' ' TYR . 8.7 p -134.03 170.65 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.62 -42.17 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.03 -45.09 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -47.71 -39.11 16.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -94.57 -25.09 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.71 28.13 39.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 17.5 mt -60.45 154.39 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 47.2 mm-40 -120.83 149.52 50.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.502 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.74 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.75 5.15 16.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.1 m -93.18 177.41 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.463 HG23 ' CB ' ' A' ' 16' ' ' ALA . 3.4 m -130.63 129.97 43.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.34 161.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -118.62 145.53 45.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 125.9 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.3 124.69 51.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.605 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.0 mtm180 -79.1 127.9 32.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 67' ' ' LEU . 1.9 ptpt -93.23 49.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 m -159.19 169.38 24.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 102' ' ' SER . 8.7 p90 -119.32 -48.64 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 33.7 t -120.51 -50.37 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.43 67.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.72 -1.52 8.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 m -84.17 177.7 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.2 p -110.89 153.71 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -141.22 166.6 24.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.811 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -109.02 -54.82 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.58 -63.5 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -102.09 89.9 3.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -95.76 142.61 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.6 92.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt -78.84 124.95 28.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -121.36 155.59 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.49 171.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' LEU . 20.5 t -69.97 -176.87 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -96.72 -44.96 6.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.7 t-105 -64.41 129.69 40.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -127.78 158.37 37.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.804 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.27 158.11 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -95.46 148.91 21.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.34 136.81 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -140.47 137.1 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -87.03 114.27 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -63.25 -22.58 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -79.04 -32.46 44.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -127.38 88.77 53.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.22 20.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.46 -30.31 13.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.39 150.85 11.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.048 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.09 59.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -70.79 156.42 39.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -129.2 140.28 51.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -95.88 124.06 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.7 tp -109.37 135.11 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -121.74 104.71 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 pp -73.14 150.08 89.76 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.69 168.03 22.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.394 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -74.73 146.53 42.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 38' ' ' GLY . 6.7 t -100.38 160.17 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.55 -32.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.97 -74.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' H ' HG23 ' A' ' 35' ' ' THR . . . 176.51 -138.51 4.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.73 -29.11 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -16.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 t -175.08 126.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' GLY . 1.2 mt -94.69 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.99 60.91 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.94 -35.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 25.2 m-85 -54.32 132.79 44.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 3.2 m -85.36 134.52 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.1 mm -37.78 -50.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -43.69 -48.22 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 53' ' ' LEU . 12.1 t80 -42.27 -61.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.2 mt -46.92 -57.28 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.06 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.3 mt-30 -84.94 -48.14 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.666 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.3 mp -59.38 -47.78 84.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 96' ' ' VAL . 2.6 mp -64.55 -41.8 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -62.55 -19.96 64.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.18 -24.43 40.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -93.05 -29.46 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -98.57 25.43 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.5 -15.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.7 -33.88 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -118.35 -48.52 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG13 HG21 ' A' ' 68' ' ' ILE . 76.5 t -67.56 116.37 36.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 151.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.9 Cg_endo -69.76 -20.86 34.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -88.92 -29.26 19.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -85.68 12.84 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG21 HG13 ' A' ' 62' ' ' VAL . 2.6 pp -134.97 167.8 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -135.58 167.97 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.4 tp -114.18 136.64 52.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 76' ' ' LYS . 37.7 mm -119.86 128.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.62 ' HB3' HD21 ' A' ' 77' ' ' LEU . 44.6 t80 -137.93 135.87 36.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.9 t 60.72 28.15 17.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.27 23.97 72.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -152.85 137.11 16.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.0 ttmp? -66.82 159.57 27.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 6.5 mt -119.41 126.48 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -64.13 161.23 16.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -2.81 55.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.8 4.12 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -107.12 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -126.33 167.71 15.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.78 -47.67 64.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . 0.8 OUTLIER -67.25 -44.28 79.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.04 -43.55 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.88 -26.33 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.31 28.22 20.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.3 mt -59.47 128.97 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -93.65 151.09 39.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.81 8.77 12.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.5 m -96.15 173.08 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.8 m -124.48 140.07 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -115.33 139.3 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -106.38 135.39 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 54' ' ' ILE . 41.0 t -96.55 138.12 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.5 tm? -127.86 120.9 28.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 97' ' ' LEU . 39.5 mtm180 -68.29 134.21 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -62.33 -57.56 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.4 t 46.33 46.13 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 102' ' ' SER . 5.5 t90 -143.15 155.77 44.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 53.8 m -33.62 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.98 131.45 4.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.531 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.81 -4.91 15.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 m -41.96 152.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.3 t -115.51 42.63 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -146.96 165.33 30.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -144.5 170.13 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -43.23 9.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -131.31 175.81 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -60.63 163.27 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 45.75 3.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.1 mtm -130.82 102.6 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -147.08 160.39 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.89 -46.47 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 24.9 p -57.61 -15.57 7.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 11' ' ' SER . 1.4 m-20 32.86 51.82 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.548 ' NE1' HD21 ' A' ' 32' ' ' LEU . 2.5 t-105 -68.12 124.24 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HD2' HD12 ' A' ' 29' ' ' ILE . 12.2 p-80 -131.84 154.59 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -137.86 152.99 49.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -91.1 127.28 36.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.2 t -112.3 132.37 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -129.39 129.83 45.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.34 104.69 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -53.4 -35.76 60.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.75 -39.77 85.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 53.3 mt-30 -128.06 98.96 25.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.7 Cg_endo -69.75 -7.43 21.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.87 -30.86 12.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.31 149.63 0.94 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 143.07 49.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 5.0 ttpm? -67.53 141.6 56.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -122.12 112.57 18.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD12 ' HD2' ' A' ' 14' ' ' HIS . 38.7 mm -74.48 130.83 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 54' ' ' ILE . 10.1 tp -108.92 150.78 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 40.6 mt-30 -127.42 110.53 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.2 pp -86.58 149.74 49.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 179.87 3.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 163.6 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -123.21 172.32 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.45 -40.59 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 37' ' ' LEU . 2.3 mm? -60.15 -73.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.33 6.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.543 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 11' ' ' SER . 1.0 OUTLIER -113.27 -41.32 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' N ' ' HG2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -36.45 -40.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -168.02 123.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 mt -73.9 -67.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.74 71.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.04 -26.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 10.5 m-85 -61.23 130.11 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.995 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' ILE . 2.6 m -81.21 126.58 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.516 HG22 ' HD2' ' A' ' 51' ' ' LYS . 42.5 mm -33.57 -50.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -51.52 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.736 ' O ' HD12 ' A' ' 53' ' ' LEU . 46.9 t80 -43.68 -52.64 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 83' ' ' LEU . 16.7 mt -60.47 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD2' HG22 ' A' ' 47' ' ' ILE . 13.1 mtpt -48.6 -18.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -89.16 -46.83 8.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 49' ' ' PHE . 5.4 mp -60.85 -50.72 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 50' ' ' LEU . 4.4 mp -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -55.8 -35.51 66.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.11 -25.82 67.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.71 -30.28 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.49 26.88 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -49.98 -18.92 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.05 -39.86 91.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -114.25 -41.86 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 68' ' ' ILE . 54.9 t -75.06 118.53 71.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.01 151.64 45.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.6 Cg_endo -69.75 -13.05 34.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -93.07 -28.25 16.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.42 21.66 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -141.95 172.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -143.71 172.83 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.9 tp -118.54 136.18 53.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -120.52 131.84 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.775 ' HD2' HG12 ' A' ' 94' ' ' VAL . 60.5 t80 -142.72 150.02 39.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.7 t 45.29 38.64 3.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.4 35.98 91.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.7 ptm85 -158.98 141.51 14.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -68.58 147.1 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 72' ' ' TYR . 39.2 mt -106.51 116.53 32.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -78.06 161.41 27.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -78.94 -6.35 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.35 24.5 3.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 85' ' ' PHE . 18.3 mp0 -138.27 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -123.78 167.76 13.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.8 HD11 HD11 ' A' ' 50' ' ' LEU . 1.9 mm? -54.59 -40.81 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.79 -53.98 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' GLN . 90.0 t80 -41.08 -40.31 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' HD2' HD11 ' A' ' 47' ' ' ILE . 9.9 m-85 -85.17 -31.09 23.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 94.41 45.86 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.13 144.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -130.7 160.57 65.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 80.93 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.74 -20.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -66.97 177.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.439 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 m -126.17 123.83 39.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.7 m -108.43 157.78 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -118.32 125.6 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.567 ' CG2' HG21 ' A' ' 54' ' ' ILE . 51.7 t -87.25 140.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -136.46 117.65 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 97' ' ' LEU . 9.7 ptt180 -82.89 135.58 34.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -58.48 -55.25 37.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' TRP . 30.0 t 63.06 41.53 8.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.513 ' CG ' ' N ' ' A' ' 102' ' ' SER . 6.6 p-90 -36.92 -46.23 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 0.9 OUTLIER -170.13 172.67 6.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.07 74.07 0.3 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 149.1 66.52 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.706 2.27 . . . . 0.0 112.342 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.0 p -86.0 143.75 27.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.5 p -81.03 -49.01 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -130.81 146.46 52.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -67.28 106.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.02 88.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -162.77 155.71 19.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -169.28 126.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 97.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 mmt -141.34 125.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -132.27 -175.44 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -101.2 107.97 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -95.58 157.9 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -90.73 -50.65 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.539 ' CH2' ' HD3' ' A' ' 90' ' ' PRO . 6.8 t-105 -83.12 123.24 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -127.32 153.45 46.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.39 152.83 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -93.14 149.77 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -130.75 132.77 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -134.29 145.96 49.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 22' ' ' GLN . 2.1 tp -95.01 126.09 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -76.31 -16.67 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -89.91 -26.17 20.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.478 ' N ' HD23 ' A' ' 19' ' ' LEU . 68.0 mt-30 -131.93 85.68 50.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.87 19.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.66 -26.16 15.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.51 149.26 51.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.65 36.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 6.9 ttpm? -61.13 154.97 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -129.65 134.22 47.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.7 131.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.685 HD22 HG13 ' A' ' 54' ' ' ILE . 14.8 tp -111.68 136.05 51.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.4 98.22 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.9 pp -73.25 152.22 90.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.31 4.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.59 165.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.98 149.84 43.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -42.89 -32.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 37' ' ' LEU . 2.5 mm? -62.53 173.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.74 -141.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.8 -27.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -43.49 166.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' LEU . 87.1 p -36.33 105.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . 29.6 mt -35.11 -45.56 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.89 71.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.91 -36.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.0 m-85 -56.13 147.73 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -102.93 136.28 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.39 -48.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.6 t -39.73 -52.15 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.769 ' CE2' HD11 ' A' ' 53' ' ' LEU . 24.8 t80 -49.39 -60.23 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -46.14 -58.59 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -42.32 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' LEU . 17.4 mt-30 -84.58 -49.92 8.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.4 mp -55.85 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.685 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -55.94 -48.4 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -29.5 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.43 76.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.527 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -95.95 -40.82 9.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' GLU . 13.8 mt -70.49 -0.49 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -31.66 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt-20 -43.41 -51.59 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -112.38 -33.53 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.88 116.01 56.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -50.88 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.753 2.302 . . . . 0.0 112.31 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -150.6 156.38 36.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.55 34.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -86.27 -28.17 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.74 8.54 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.48 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.7 pp -140.91 153.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' CG ' ' HB3' ' A' ' 97' ' ' LEU . 2.1 p30 -117.61 173.29 6.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' HD13 ' A' ' 71' ' ' ILE . 7.0 tp -113.71 132.07 55.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 70' ' ' LEU . 27.5 mm -121.45 127.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.821 ' HB3' HD21 ' A' ' 77' ' ' LEU . 12.5 t80 -142.44 144.86 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 42.2 t 51.64 34.73 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.79 33.05 86.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -160.22 129.96 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -55.11 151.6 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 72' ' ' TYR . 19.4 mt -112.42 111.15 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -63.06 163.14 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.73 2.59 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -101.3 -4.38 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -97.4 -177.97 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -138.13 164.52 28.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -51.48 -39.9 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -50.37 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -43.16 -34.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD2' HD22 ' A' ' 77' ' ' LEU . 18.4 m-85 -97.97 -28.49 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.14 13.71 48.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.5 mt -52.4 147.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -134.29 161.39 64.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.539 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.7 3.04 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.31 -3.47 19.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.0 m -89.6 174.55 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 85.8 m -130.47 130.54 44.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.559 HG12 ' HD2' ' A' ' 72' ' ' TYR . 8.0 m -106.38 137.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -97.29 145.76 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 52.8 t -105.11 148.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.2 tm? -123.46 135.88 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.494 ' N ' HD13 ' A' ' 97' ' ' LEU . 24.5 mmm-85 -96.53 102.01 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -49.44 158.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 m -110.07 -37.77 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.525 ' CZ2' ' HD3' ' A' ' 104' ' ' PRO . 8.5 t-105 -127.69 133.51 49.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' TRP . 59.0 m -37.08 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.8 77.92 1.35 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.525 ' HD3' ' CZ2' ' A' ' 101' ' ' TRP . 53.8 Cg_endo -69.75 160.25 50.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.1 p -95.66 140.33 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.2 m -103.56 173.66 6.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t -64.47 108.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.831 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -138.76 142.46 38.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.13 41.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -97.94 108.78 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.81 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -60.74 -45.37 94.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 144.8 -177.06 23.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -35.63 147.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 m -52.38 109.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -86.32 157.4 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -107.01 149.0 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.34 -48.58 11.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.523 ' CZ3' ' HG ' ' A' ' 42' ' ' LEU . 3.0 t-105 -83.14 128.83 34.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -130.64 153.01 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.65 156.01 44.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.65 146.73 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.99 134.13 63.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -135.38 129.51 33.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD23 ' HB2' ' A' ' 22' ' ' GLN . 3.8 tp -79.57 113.29 17.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.51 84.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.26 -35.24 79.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.591 ' HB2' HD23 ' A' ' 19' ' ' LEU . 40.1 mt-30 -125.18 91.01 49.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -12.3 32.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -92.62 -27.41 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.92 153.01 4.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.11 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 153.36 68.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.03 155.14 38.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -131.97 125.45 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mm -91.43 119.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 53' ' ' LEU . 10.8 tp -102.99 130.33 50.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -110.56 99.77 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.85 153.23 95.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.36 27.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 174.0 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.444 ' CG2' ' CE2' ' A' ' 45' ' ' TYR . 35.2 p -114.93 138.98 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.05 -31.77 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.15 -60.02 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.06 173.69 36.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' TYR . 9.6 pt-20 -66.59 -30.71 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -36.59 154.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' TYR . 3.5 m -34.4 112.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 19.9 mt -35.5 -69.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.88 81.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.73 -31.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' CG2' ' A' ' 35' ' ' THR . 13.4 m-85 -52.72 135.87 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.3 p -88.73 126.55 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.9 mm -35.69 -37.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -49.63 -53.12 26.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 11.5 t80 -43.82 -62.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.6 mt -47.03 -57.61 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -43.21 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.4 mt-30 -89.09 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.1 mp -52.85 -54.5 33.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 96' ' ' VAL . 4.4 mp -58.37 -53.3 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.17 -35.94 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -27.08 70.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -88.28 -30.76 19.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.4 mt -101.36 28.81 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.55 -16.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.7 pt-20 -66.03 -33.9 76.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.7 m -115.67 -43.02 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 63.9 t -76.83 119.78 78.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -150.2 149.36 26.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.66 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -95.88 -26.08 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.96 20.12 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 98' ' ' ARG . 2.8 pp -141.55 169.85 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -138.64 -179.31 5.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.9 tp -125.25 137.71 54.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -120.29 132.24 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.789 ' HD2' HG12 ' A' ' 94' ' ' VAL . 55.4 t80 -142.83 143.77 32.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.448 ' HG ' ' HG2' ' A' ' 75' ' ' ARG . 1.5 p 49.71 25.77 1.61 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.88 59.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HG2' ' HG ' ' A' ' 73' ' ' CYS . 1.8 ptp180 -147.85 132.59 17.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 128.45 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 72' ' ' TYR . 7.5 mt -94.25 114.58 26.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 81' ' ' GLN . 14.8 pttt -64.45 176.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.31 9.37 38.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -105.1 -1.11 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 85' ' ' PHE . 14.9 mm-40 -102.42 172.18 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' LEU . 8.8 p -129.64 150.13 51.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' THR . 1.9 mm? -37.46 -40.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.91 -49.79 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 81' ' ' GLN . 5.1 t80 -41.35 -41.63 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 15.6 m-85 -89.55 -24.39 21.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.53 28.03 23.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.9 130.23 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -106.3 154.69 39.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.75 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.57 -13.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.5 p -71.26 -175.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -127.06 132.46 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.789 HG12 ' HD2' ' A' ' 72' ' ' TYR . 30.9 m -120.7 128.04 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.93 133.1 35.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 54' ' ' ILE . 25.2 t -97.38 130.64 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -124.13 119.44 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.534 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.5 ptt-85 -84.07 142.62 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -74.14 124.02 25.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.1 m -89.22 97.57 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 104' ' ' PRO . 33.0 t90 -165.8 161.62 18.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 5.7 t -53.33 177.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.88 113.32 3.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 101' ' ' TRP . 54.0 Cg_endo -69.75 -15.31 37.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 104' ' ' PRO . 19.1 m -34.62 112.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.6 t -75.58 158.74 32.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -62.84 126.09 26.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 p -114.14 133.0 55.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 128.96 9.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -87.81 144.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -104.74 -50.61 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 111.89 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttp -87.86 158.58 18.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -48.51 173.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -102.6 145.93 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 t -115.28 150.87 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -84.71 -44.56 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 90' ' ' PRO . 2.0 t-105 -73.38 126.72 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -129.31 164.81 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -150.56 157.09 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -96.97 153.0 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.09 137.73 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -139.19 149.28 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD23 ' HG3' ' A' ' 22' ' ' GLN . 13.5 tp -97.28 114.8 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.84 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.45 -25.22 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' HD23 ' A' ' 19' ' ' LEU . 30.3 mt-30 -134.07 87.17 35.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.27 15.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.16 -25.12 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 148.7 7.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 111.076 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.05 7.76 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -43.44 148.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -124.02 135.23 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mm -100.71 130.2 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' A' ' 53' ' ' LEU . 13.3 tp -114.15 148.56 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.38 102.5 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 42' ' ' LEU . 2.7 pp -69.93 152.31 95.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 118.21 5.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 163.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.49 HG23 ' HB2' ' A' ' 37' ' ' LEU . 8.7 t -130.5 159.61 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' CD ' HD22 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -56.91 -16.46 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD22 ' CD ' ' A' ' 36' ' ' GLU . 4.2 mm? -71.55 -74.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.22 170.01 21.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -75.81 -41.89 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -35.48 -39.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.1 p -169.04 163.78 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 32' ' ' LEU . 23.4 mt -121.52 -55.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 36.81 76.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.0 -26.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.51 136.67 58.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ILE . 51.5 m -91.98 126.96 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' SER . 40.0 mm -34.73 -49.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -39.87 -58.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CE2' HD11 ' A' ' 53' ' ' LEU . 16.6 t80 -44.05 -55.22 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.76 -51.6 37.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -53.22 -15.47 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -90.73 -47.57 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.844 ' HB3' HD21 ' A' ' 30' ' ' LEU . 4.7 mp -56.88 -58.11 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -59.41 -42.26 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -23.49 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.47 -18.89 54.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -93.23 -34.68 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.08 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.36 -19.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.26 -35.72 74.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -119.95 -40.38 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 68' ' ' ILE . 47.3 t -76.54 117.62 65.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.21 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.42 156.15 39.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.69 35.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.08 -26.39 22.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.2 18.71 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.22 166.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -135.75 156.31 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -106.31 132.71 52.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.96 129.28 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.475 ' HB3' HD21 ' A' ' 77' ' ' LEU . 41.3 t80 -141.61 135.02 29.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.9 t 64.16 30.11 13.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.59 77.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.11 140.43 30.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -69.92 148.55 48.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 72' ' ' TYR . 18.1 mt -107.69 136.55 47.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -92.93 161.08 14.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -76.3 -7.63 55.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.14 -1.44 57.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.517 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 18.6 mm-40 -108.37 176.82 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -138.19 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.3 mm? -62.1 -39.23 91.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -39.38 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 11.0 t80 -48.59 -42.71 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.76 -32.69 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.07 23.11 13.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.36 132.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -100.7 152.18 37.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.554 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 2.18 3.78 Favored 'Trans proline' 0 C--O 1.23 0.116 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.22 5.4 23.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.11 -174.74 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.004 0.43 . . . . 0.0 110.85 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.432 HG23 ' CB ' ' A' ' 16' ' ' ALA . 4.6 m -134.76 136.19 42.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.67 148.14 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -109.72 149.07 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.76 124.45 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 98' ' ' ARG . 1.3 tm? -115.71 123.96 49.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.572 ' N ' HD13 ' A' ' 97' ' ' LEU . 16.9 mmm-85 -73.12 130.07 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -62.04 99.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -74.8 90.88 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.55 ' CH2' ' HD3' ' A' ' 104' ' ' PRO . 5.8 t90 -147.55 155.86 42.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 32.4 m -33.04 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.6 130.17 4.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HD3' ' CH2' ' A' ' 101' ' ' TRP . 54.1 Cg_endo -69.74 108.46 2.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 t -114.48 126.17 54.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 t -85.02 105.81 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -113.48 100.12 8.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -83.96 146.4 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -164.0 46.06 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 28.1 p -38.36 156.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.851 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -77.17 -50.77 12.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.26 56.72 6.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 mtp -117.6 109.25 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -113.31 131.05 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.649 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -93.98 69.48 3.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m -130.19 142.17 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -80.74 -43.08 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 t-105 -60.77 125.84 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -128.22 164.43 22.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.14 160.0 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB1' ' HE3' ' A' ' 27' ' ' LYS . . . -105.36 154.08 20.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' LYS . 69.2 t -137.65 154.3 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.9 mmmm -148.91 130.96 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 22' ' ' GLN . 19.6 tp -80.86 98.94 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -52.7 -34.13 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.15 -36.82 85.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HD23 ' A' ' 19' ' ' LEU . 32.0 mt-30 -125.5 93.77 44.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.68 37.16 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.32 -27.43 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.85 146.14 95.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.52 21.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -86.35 142.69 28.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 2.2 m -119.99 131.68 55.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.3 mm -89.19 137.35 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG13 ' A' ' 54' ' ' ILE . 5.6 tp -124.87 132.76 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -112.63 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -79.34 153.08 76.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.76 -173.88 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 159.16 7.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -112.77 157.15 21.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.3 OUTLIER -61.13 -49.05 78.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' N ' HG22 ' A' ' 35' ' ' THR . 4.0 mm? -75.86 -74.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.41 -153.93 9.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 12.1 pt-20 -102.31 -36.09 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -21.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' GLU . 3.4 m -175.21 155.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 13' ' ' TRP . 6.2 mt -111.86 -63.11 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 33.4 70.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.65 -30.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' HD13 ' A' ' 42' ' ' LEU . 16.9 m-85 -53.17 128.73 28.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.354 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ILE . 4.0 m -89.31 127.46 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' SER . 47.2 mm -33.91 -49.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -44.96 -49.76 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 37.1 t80 -42.1 -64.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 54' ' ' ILE . 30.8 mt -48.92 -55.49 11.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -43.76 -22.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.7 mt-30 -86.75 -48.23 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.2 mp -58.92 -57.18 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 HD22 ' A' ' 30' ' ' LEU . 5.1 mp -52.9 -45.63 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.87 81.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.95 79.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -96.91 -33.63 11.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.1 mt -97.56 28.32 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -52.05 -16.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' SER . 7.5 pt-20 -66.96 -35.26 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 5.1 m -115.31 -43.8 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.503 HG13 HG21 ' A' ' 68' ' ' ILE . 71.8 t -75.51 122.81 87.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -154.9 153.63 27.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.836 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.75 25.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.18 -27.48 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' ' HG2' ' A' ' 99' ' ' LYS . 52.3 mt -87.8 19.9 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 62' ' ' VAL . 2.8 pp -145.05 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.11 174.02 8.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' HD13 ' A' ' 71' ' ' ILE . 12.8 tp -119.8 139.54 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 70' ' ' LEU . 38.8 mm -126.13 134.54 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.595 ' HB3' HD21 ' A' ' 77' ' ' LEU . 73.1 t80 -143.02 150.47 39.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 72' ' ' TYR . 2.3 t 42.28 38.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.64 35.67 92.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -159.48 136.14 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 tmmm? -67.66 148.41 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 72' ' ' TYR . 10.8 mt -112.87 122.11 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 163.31 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.46 -21.71 48.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.34 -12.82 58.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -84.54 167.14 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -127.67 178.48 6.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.48 -44.88 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' PHE . 11.0 t70 -67.63 -51.8 45.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ASP . 26.6 t80 -36.08 -41.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.01 -30.1 14.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.14 30.39 11.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.92 152.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.53 155.3 50.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 27.92 5.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.1 m -110.92 169.41 8.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 m -120.26 120.52 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.484 HG12 ' HD1' ' A' ' 72' ' ' TYR . 25.1 m -103.7 141.57 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -104.25 154.23 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 39.8 t -110.85 134.67 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.09 119.06 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -54.13 156.16 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HG2' ' C ' ' A' ' 67' ' ' LEU . 8.0 mmpt? -46.64 137.98 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.7 t -69.37 -52.83 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -49.88 151.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.23 -63.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.48 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 154.23 -59.84 0.39 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.8 Cg_endo -69.77 86.56 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -42.48 124.04 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -118.78 91.28 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.482 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -105.43 42.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -89.76 -55.8 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.95 158.07 8.69 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -143.72 124.08 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -126.07 120.79 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.08 110.37 3.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 mtt -79.22 150.36 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -121.4 149.34 43.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -72.68 -29.51 63.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 p -119.55 99.86 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -88.03 25.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 5.1 t-105 -60.84 116.77 4.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -131.83 149.5 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tp -135.09 159.21 42.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.24 150.55 21.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.28 124.94 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -126.99 139.81 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 22' ' ' GLN . 9.7 tp -88.39 123.2 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -73.65 -22.48 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.03 -32.25 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.739 ' HB2' HD23 ' A' ' 19' ' ' LEU . 57.6 mt-30 -127.8 90.08 48.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.97 -29.65 14.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.54 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.17 53.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -63.42 148.21 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -121.39 117.3 26.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.09 128.26 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 tp -112.78 141.42 46.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -130.69 107.07 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 4.5 pp -69.84 151.87 96.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.24 54.14 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' OE2' HD21 ' A' ' 10' ' ' LEU . 22.6 tt0 -58.72 147.04 34.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -104.99 154.15 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 35' ' ' THR . 7.9 pt-20 -64.95 -43.29 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' N ' HG22 ' A' ' 35' ' ' THR . 2.5 mm? -52.09 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.59 -122.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -128.21 -30.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -38.98 158.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 42.9 t -35.98 111.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 45' ' ' TYR . 42.1 mt -35.21 -61.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.8 41.96 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -33.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 42' ' ' LEU . 22.7 m-85 -53.32 139.9 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.955 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -91.43 131.63 36.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -39.59 -43.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -47.33 -51.24 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 53' ' ' LEU . 13.0 t80 -42.54 -65.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 54' ' ' ILE . 27.2 mt -46.77 -55.92 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -43.88 -22.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.4 mt-30 -89.61 -45.78 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -59.71 -44.51 93.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 96' ' ' VAL . 4.0 mp -64.37 -52.83 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -57.56 -26.94 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.89 -28.88 53.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -87.87 -34.88 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.334 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -97.1 25.89 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -51.91 -16.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.02 -33.36 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -114.05 -42.83 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 HG21 ' A' ' 68' ' ' ILE . 70.7 t -84.38 118.78 71.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.02 149.96 51.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.824 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.505 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -20.77 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -84.38 -26.25 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.1 mt -86.94 10.7 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.9 pt -129.55 177.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 1.3 p30 -150.76 153.37 35.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 94' ' ' VAL . 8.7 tp -100.47 129.73 46.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 76' ' ' LYS . 31.0 mm -113.37 124.46 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 73' ' ' CYS . 50.1 t80 -138.52 150.51 46.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 6.0 t 48.82 30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.44 71.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -154.82 137.24 14.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.2 ttpp -61.77 152.04 32.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 72' ' ' TYR . 23.1 mt -113.44 114.26 26.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -64.23 155.81 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -86.6 27.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -126.2 7.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -115.6 -177.74 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.531 ' OG1' ' CD1' ' A' ' 85' ' ' PHE . 67.6 p -130.16 172.16 12.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.67 -36.66 72.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.46 -43.04 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 3.6 m-30 -43.5 -54.41 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.39 -28.49 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.83 18.08 26.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.42 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.0 mt -60.16 132.25 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -119.53 159.26 46.71 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.586 0.707 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 90.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.73 -16.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 m -69.82 -176.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 m -134.88 116.74 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 70' ' ' LEU . 3.7 m -102.16 156.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -115.82 131.8 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.557 ' CG2' HG21 ' A' ' 54' ' ' ILE . 71.9 t -84.96 145.68 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -128.59 140.88 51.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 97' ' ' LEU . 23.4 mmm-85 -104.3 97.88 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -39.94 137.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 m -111.87 96.17 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.405 ' HE1' ' CD ' ' A' ' 104' ' ' PRO . 20.9 t-105 -149.4 146.28 27.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 m -41.34 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.75 83.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' CD ' ' HE1' ' A' ' 101' ' ' TRP . 53.6 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.2 m -48.08 -49.91 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.5 p -123.14 131.93 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -80.73 172.36 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -122.25 -49.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.57 110.09 3.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.433 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -86.26 145.35 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.875 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -103.09 113.04 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.24 134.4 12.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.9 mtt -99.24 107.36 19.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -150.81 141.2 22.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 74.6 mt -146.46 144.56 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -83.74 165.39 18.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.69 -45.65 7.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.532 ' NE1' HD21 ' A' ' 32' ' ' LEU . 9.2 t-105 -75.39 120.99 21.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -131.0 158.89 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 7.6 tp -145.89 153.68 41.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -96.29 152.74 18.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 54' ' ' ILE . 53.8 t -139.51 135.95 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -132.02 143.37 50.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 22' ' ' GLN . 7.9 tp -85.58 113.87 22.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 96' ' ' VAL . . . -67.1 -27.52 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -81.64 -29.05 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.561 ' HB2' HD23 ' A' ' 19' ' ' LEU . 21.8 mt-30 -124.86 88.81 53.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -5.22 15.69 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.83 -30.69 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 154.13 3.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.33 27.91 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 29.4 ttpt -85.26 150.51 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -122.52 115.56 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.69 114.18 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.74 HD22 HG13 ' A' ' 54' ' ' ILE . 6.5 tp -105.17 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -127.74 103.26 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' NE1' ' A' ' 13' ' ' TRP . 4.3 pp -63.99 152.01 88.39 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.733 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.08 22.59 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -60.49 163.4 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -113.75 169.47 8.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 6.9 pt-20 -87.78 -24.01 23.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 4.2 mm? -90.84 92.4 8.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.35 -162.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.44 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -114.48 -17.05 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -61.36 -175.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' TYR . 48.6 m -37.13 114.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CE1' ' A' ' 45' ' ' TYR . 12.5 mt -55.86 -59.74 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.68 68.43 0.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.88 -28.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -53.79 142.87 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ILE . 84.4 p -95.58 126.72 41.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 51' ' ' LYS . 28.3 mm -35.5 -49.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -39.73 -55.0 2.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CE2' HD11 ' A' ' 53' ' ' LEU . 20.4 t80 -42.04 -66.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 54' ' ' ILE . 15.9 mt -45.66 -57.18 4.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.5 ' HD2' HG22 ' A' ' 47' ' ' ILE . 27.4 mttt -40.85 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.9 mt-30 -86.83 -44.27 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 30' ' ' LEU . 5.4 mp -62.78 -50.85 69.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.74 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -59.47 -49.38 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -53.84 -29.93 43.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -27.19 71.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -87.61 -38.51 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 60' ' ' GLU . 25.1 mt -74.59 0.48 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -31.82 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' LEU . 15.3 pt-20 -41.22 -50.81 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 2.0 m -116.34 -32.24 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 68' ' ' ILE . 63.2 t -78.72 112.16 24.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.64 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.2 153.86 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.537 0.684 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 54.2 Cg_endo -69.74 -21.48 33.54 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.61 -28.29 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -139.96 -179.39 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -147.53 161.26 41.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 94' ' ' VAL . 12.4 tp -116.38 128.22 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.6 mm -119.5 133.85 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.757 ' HB3' HD21 ' A' ' 77' ' ' LEU . 23.0 t80 -143.17 150.93 40.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 35.5 t 45.29 38.57 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.59 80.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 9.5 ptp180 -155.1 140.85 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.85 140.66 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 72' ' ' TYR . 45.1 mt -100.29 113.75 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -78.42 157.88 28.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.42 -28.29 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.1 -20.07 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -85.65 171.78 11.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.2 p -132.5 169.96 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -57.71 -35.94 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.49 -47.02 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -40.63 -47.44 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CE1' ' HD2' ' A' ' 75' ' ' ARG . 46.1 m-85 -88.63 -34.3 17.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.89 16.71 18.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.95 146.52 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 mt-30 -132.36 161.68 61.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.523 ' HD3' ' CH2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.72 3.34 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.37 11.8 14.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 m -103.2 173.51 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.41 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.7 m -129.61 133.63 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.59 HG12 ' HD2' ' A' ' 72' ' ' TYR . 29.9 m -107.76 166.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.58 132.31 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 53.5 t -94.03 141.86 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER -126.41 122.04 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.604 ' N ' HD13 ' A' ' 97' ' ' LEU . 12.6 mtt85 -70.83 123.52 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.82 165.13 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 p -97.62 44.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.46 ' NE1' ' HB2' ' A' ' 102' ' ' SER . 1.6 p90 -56.67 -41.61 77.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 5.8 m -158.84 174.25 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -106.04 90.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 96.65 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 t -59.64 119.94 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.7 t -119.36 158.88 25.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -90.48 96.77 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.813 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -49.26 137.25 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.7 113.82 1.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -87.66 -55.07 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -79.2 144.16 34.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.19 153.61 52.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.431 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 mtm -73.58 110.84 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -79.05 156.0 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.47 127.6 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -144.57 -175.14 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.71 -56.11 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.633 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.0 t-105 -63.24 118.99 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -128.87 131.63 47.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 89' ' ' GLN . 11.2 tp -123.28 157.81 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 153.48 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.22 121.94 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -117.69 157.62 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 22' ' ' GLN . 16.5 tp -106.24 103.57 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.98 69.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -67.68 -29.57 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.689 ' HB2' HD23 ' A' ' 19' ' ' LEU . 64.7 mt-30 -133.9 88.43 32.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -8.19 22.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.54 -28.81 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -58.31 160.2 9.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 53.8 Cg_endo -69.78 172.6 12.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -96.85 155.4 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -127.78 143.25 51.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -106.68 133.88 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.716 HD22 HG13 ' A' ' 54' ' ' ILE . 8.9 tp -119.8 144.96 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -122.15 102.16 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.633 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -71.53 151.45 93.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.58 52.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.95 173.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 37' ' ' LEU . 14.1 t -144.49 160.05 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -40.42 -36.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' H ' HG23 ' A' ' 35' ' ' THR . 1.2 mm? -101.39 -178.63 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.0 160.98 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.55 79.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -38.38 -35.93 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -155.77 122.38 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.0 mt -91.46 -66.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.58 58.64 2.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.84 -31.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 29.6 m-85 -60.97 141.34 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.967 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.3 m -92.66 129.13 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 24.2 mm -34.25 -51.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.7 t -45.17 -48.03 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 35.4 t80 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 54' ' ' ILE . 22.3 mt -52.32 -53.63 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -43.64 -23.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -84.7 -50.72 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mp -56.8 -51.47 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.716 HG13 HD22 ' A' ' 30' ' ' LEU . 4.7 mp -58.92 -45.19 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.27 69.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.64 -19.17 72.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -99.02 -36.69 9.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.536 HD11 HG21 ' A' ' 96' ' ' VAL . 36.2 mt -74.0 2.2 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -32.54 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.3 pp20? -44.39 -50.95 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -115.13 -34.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 HG21 ' A' ' 68' ' ' ILE . 25.7 t -79.5 112.19 26.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -142.65 154.48 62.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.96 32.89 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -85.8 -25.23 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.7 mt -88.38 19.17 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.433 HG21 HG22 ' A' ' 62' ' ' VAL . 2.6 pp -143.56 177.85 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -139.29 -175.9 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 tp -136.17 130.03 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 76' ' ' LYS . 23.1 mm -121.59 131.31 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.609 ' HB3' HD21 ' A' ' 77' ' ' LEU . 3.7 t80 -142.76 129.95 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 13.2 t 69.36 30.87 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.21 31.86 68.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 2.2 ptm85 -160.47 144.01 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 9.0 ttmt -71.03 157.57 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 72' ' ' TYR . 5.3 mt -118.24 125.46 50.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 165.35 25.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -88.68 21.64 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.42 8.19 10.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' OE1' ' CE1' ' A' ' 85' ' ' PHE . 6.0 mm-40 -115.9 168.78 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 p -119.95 170.03 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -56.39 -41.46 76.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.77 -37.34 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CE1' ' OE1' ' A' ' 81' ' ' GLN . 5.2 t80 -51.98 -46.22 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 77' ' ' LEU . 13.8 m-85 -84.41 -32.22 24.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.43 21.47 9.86 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.8 mt -66.15 146.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.479 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt-30 -131.09 161.61 60.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.3 2.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.366 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.98 20.37 6.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 m -134.84 134.39 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -113.3 132.04 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.25 120.59 33.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG21 HD11 ' A' ' 58' ' ' LEU . 24.0 t -84.19 131.43 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 118.06 27.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -88.66 138.22 31.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -69.79 92.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -72.29 104.09 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.632 ' CG ' ' N ' ' A' ' 102' ' ' SER . 1.6 p90 -85.19 -52.84 5.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.632 ' N ' ' CG ' ' A' ' 101' ' ' TRP . 5.7 t -150.35 -177.34 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.92 88.16 0.55 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.77 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.6 p -39.36 120.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.2 t -44.35 -48.69 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m 52.41 42.18 31.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.876 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -80.41 161.72 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.15 47.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -112.29 121.42 44.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -102.36 158.98 15.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 56.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 ttm -100.27 90.61 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -149.21 139.17 22.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.4 mt -114.29 112.83 23.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -87.9 162.0 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -89.34 -44.25 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 2.3 t-105 -81.24 121.13 25.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.48 134.0 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 tp -119.53 155.37 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.61 138.37 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 54' ' ' ILE . 68.5 t -124.36 146.26 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -147.28 130.99 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD23 ' HG3' ' A' ' 22' ' ' GLN . 16.1 tp -78.45 106.05 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.95 -37.44 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' HG3' HD23 ' A' ' 19' ' ' LEU . 26.8 mt-30 -122.66 95.37 46.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -11.6 31.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.46 -35.38 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.91 148.53 3.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -86.71 146.29 26.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -122.13 107.48 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -73.89 123.52 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.782 HD22 HG13 ' A' ' 54' ' ' ILE . 12.0 tp -102.91 144.81 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.56 99.77 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.3 pp -72.5 152.67 91.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.72 173.83 10.36 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.59 157.23 23.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.592 HG23 ' H ' ' A' ' 38' ' ' GLY . 13.5 t -125.91 169.46 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.677 ' HG3' HD22 ' A' ' 37' ' ' LEU . 9.9 pt-20 -56.29 -41.72 76.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 36' ' ' GLU . 2.5 mm? -61.82 -51.69 67.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' H ' HG23 ' A' ' 35' ' ' THR . . . 139.37 -146.67 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.16 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -56.23 -13.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -174.89 119.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.4 mt -91.3 -60.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.13 71.01 0.14 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.11 -28.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 13.0 m-85 -64.39 124.31 21.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 82' ' ' THR . 49.6 p -81.39 128.05 33.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' SER . 28.6 mm -34.12 -44.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 79' ' ' ASP . 33.7 t -47.47 -51.86 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 53' ' ' LEU . 46.0 t80 -46.07 -65.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LEU . 16.8 mt -44.12 -58.18 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -38.41 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' LEU . 28.4 mt-30 -81.68 -41.57 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.2 mp -65.43 -56.19 13.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.782 HG13 HD22 ' A' ' 30' ' ' LEU . 5.2 mp -56.49 -52.49 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.0 -30.82 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.68 -22.76 78.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -94.16 -37.27 11.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 17' ' ' VAL . 25.5 mt -74.41 2.59 9.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -32.73 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 58' ' ' LEU . 1.8 pp20? -38.79 -47.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 2.9 m -121.1 -29.28 4.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 68' ' ' ILE . 95.6 t -79.08 111.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -145.07 153.28 53.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.0 37.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -86.76 -29.87 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.76 22.8 2.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.714 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.8 pp -142.81 176.99 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.12 172.83 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.17 133.51 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.9 mm -124.6 135.05 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' HD21 ' A' ' 77' ' ' LEU . 63.8 t80 -143.0 139.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.442 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 52.08 35.87 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.83 20.97 72.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.434 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 31.3 ptt180 -141.91 133.68 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 140.47 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 72' ' ' TYR . 21.4 mt -101.63 127.61 48.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -84.42 159.53 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 97.6 m-20 -71.18 -21.63 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.67 -18.4 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 3.6 mp0 -92.4 178.07 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 46' ' ' SER . 40.5 p -140.77 -175.18 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 mm? -62.75 -51.98 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' PHE . 9.6 t70 -67.55 -43.39 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 4.4 t80 -36.94 -45.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 81' ' ' GLN . 60.4 m-85 -94.19 -35.19 12.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.95 34.36 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -71.28 147.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -122.46 154.02 62.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.73 89.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 158.26 -22.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.7 p -63.82 -179.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.6 m -132.65 124.48 28.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.92 156.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 90.2 m-70 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -98.87 133.83 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -117.2 117.6 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.714 ' HG2' HG22 ' A' ' 68' ' ' ILE . 24.6 mtm180 -72.92 124.74 26.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -59.16 152.69 19.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.3 t -86.52 119.01 26.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -129.84 150.52 51.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -48.21 -58.84 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.482 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . 155.63 -59.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.4 Cg_endo -69.77 80.05 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.7 m -70.87 -55.08 9.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t 56.92 41.88 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -40.07 -46.64 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 44.58 42.2 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.76 -125.78 2.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -63.52 138.27 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -152.33 131.12 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.55 85.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -155.93 134.91 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -111.4 21.05 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.0 175.23 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -61.82 140.36 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.36 86.98 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.67 ' CD1' HD21 ' A' ' 32' ' ' LEU . 6.9 t-105 -65.14 114.54 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -131.68 149.42 52.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -133.07 159.69 39.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 27' ' ' LYS . . . -100.03 143.64 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 58' ' ' LEU . 90.0 t -122.27 132.36 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -133.17 140.2 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.9 tp -91.49 106.37 18.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.41 -38.61 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.89 -28.11 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.603 ' HG3' HD23 ' A' ' 19' ' ' LEU . 38.8 mt-30 -128.87 88.48 51.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.38 18.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.49 -30.6 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.17 148.59 2.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.5 17.69 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 21.2 ttpt -59.21 139.82 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -118.94 138.24 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.2 135.02 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 54' ' ' ILE . 33.4 tp -106.72 146.7 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -129.36 107.93 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -79.22 150.78 74.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.52 ' O ' HD12 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.67 -174.22 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.45 -176.0 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 37' ' ' LEU . 5.2 t -151.39 -177.95 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 35' ' ' THR . 5.7 pm0 -52.5 -23.56 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' H ' HG23 ' A' ' 35' ' ' THR . 1.1 mp -112.51 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' H ' HG23 ' A' ' 35' ' ' THR . . . 165.72 -175.41 41.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' HA ' HD21 ' A' ' 42' ' ' LEU . 4.8 pt-20 -83.36 -44.55 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' SER . 1.6 p90 -33.91 -50.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' TYR . 4.4 t -124.72 104.45 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 39' ' ' GLU . 10.1 mt -87.15 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 34.2 59.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.27 -28.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CD2' HD13 ' A' ' 42' ' ' LEU . 11.8 m-85 -62.03 130.41 45.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ILE . 5.2 m -86.39 129.13 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' SER . 36.2 mm -36.22 -48.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.2 p -39.51 -53.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.805 ' CE2' HD11 ' A' ' 53' ' ' LEU . 26.9 t80 -47.16 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 53' ' ' LEU . 17.3 mt -46.22 -56.25 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -41.46 -24.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' LEU . 18.2 mt-30 -88.38 -47.13 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD11 ' CE2' ' A' ' 49' ' ' PHE . 4.9 mp -53.66 -49.03 68.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 30' ' ' LEU . 4.0 mp -63.1 -55.45 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . . . -49.67 -33.95 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.43 -28.94 66.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -85.13 -26.18 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' A' ' 17' ' ' VAL . 25.3 mt -102.75 24.97 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.06 -15.66 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.28 -35.72 81.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -119.26 -43.61 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -72.21 120.69 81.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.46 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -152.4 152.09 28.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 53.7 Cg_endo -69.84 -15.41 36.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.5 -29.62 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -87.36 14.55 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.03 167.46 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -131.46 164.79 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 tp -112.35 141.02 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 76' ' ' LYS . 11.0 mm -129.77 131.6 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 77' ' ' LEU . 80.6 t80 -139.71 145.9 38.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 1.8 m 50.22 28.45 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.43 26.76 69.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.518 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -149.95 134.05 17.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HA ' HD13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.24 148.88 39.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 72' ' ' TYR . 20.0 mt -111.91 124.55 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -78.11 159.13 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.56 0.5 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.99 -9.44 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.52 ' HG3' ' CD1' ' A' ' 85' ' ' PHE . 1.4 mp0 -101.58 173.35 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.8 p -131.64 -175.2 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.64 -52.51 64.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' GLY . 5.4 t70 -57.72 -56.38 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 81' ' ' GLN . 10.2 t80 -34.45 -48.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -88.83 -25.98 21.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 83.36 25.48 47.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mt -52.78 138.98 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -107.16 153.5 41.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.27 25.43 5.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.4 p -105.35 179.46 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.981 0.42 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 16' ' ' ALA . 67.3 m -134.23 140.23 46.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -118.0 162.8 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -123.79 147.87 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.73 126.41 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.532 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -117.68 119.84 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.532 ' N ' HD13 ' A' ' 97' ' ' LEU . 11.7 mtm105 -73.5 141.06 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -72.89 159.22 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.4 t -97.75 84.63 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' SER . 9.2 t-105 -147.13 139.71 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' TRP . 54.7 m -34.87 -69.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.09 84.17 1.29 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 177.65 5.4 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 p -120.27 132.24 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.0 p -69.68 98.43 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -134.18 159.52 40.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -150.6 162.92 39.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.76 122.71 10.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -93.42 101.87 14.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -70.88 141.75 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.36 49.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.2 mmt -97.47 152.36 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 152.76 22.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.33 137.28 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 t -70.7 169.37 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.68 -46.93 5.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.799 ' CD2' HD11 ' A' ' 42' ' ' LEU . 4.7 t-105 -57.2 121.16 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -129.67 149.88 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -135.73 156.1 49.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.59 149.69 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.05 129.16 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -130.63 136.32 48.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 22' ' ' GLN . 3.3 tp -82.98 116.02 22.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.57 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 19' ' ' LEU . 32.2 mt-30 -123.23 92.17 49.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 54.1 Cg_endo -69.73 -6.96 19.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -98.74 -34.17 10.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.78 154.74 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.065 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.91 68.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -76.31 142.77 41.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -118.76 126.96 53.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.95 128.08 45.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 57' ' ' LYS . 8.8 tp -109.86 145.47 36.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -133.74 112.65 11.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.25 154.81 76.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' GLU . 54.0 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' PRO . 12.0 pt-20 -34.42 123.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.505 ' CG2' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.48 155.33 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' C ' HD22 ' A' ' 37' ' ' LEU . 2.9 pt-20 -85.04 -38.94 18.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.6 mm? -134.9 94.1 3.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' O ' HG21 ' A' ' 35' ' ' THR . . . 41.19 -158.38 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 40' ' ' TYR . 9.0 pt-20 -108.57 -33.38 7.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -32.92 -37.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.6 p -176.2 151.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 13' ' ' TRP . 3.1 mt -89.85 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 32.61 76.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.12 -31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.422 ' O ' HD23 ' A' ' 83' ' ' LEU . 11.4 m-85 -61.04 122.4 14.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -82.46 135.07 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -44.67 -46.26 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -43.73 -41.3 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.812 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.868 ' CE1' HD11 ' A' ' 53' ' ' LEU . 21.8 t80 -51.23 -61.14 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' GLN . 15.4 mt -50.5 -52.79 35.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -44.05 -22.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 50' ' ' LEU . 26.1 mt-30 -88.71 -53.15 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CE1' ' A' ' 49' ' ' PHE . 5.4 mp -57.02 -40.69 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG21 HG21 ' A' ' 96' ' ' VAL . 15.9 mt -64.75 -55.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.09 -28.77 41.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' O ' ' NE2' ' A' ' 59' ' ' GLN . . . -80.08 -25.67 57.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 17.0 mmmt -88.03 -38.04 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -94.81 24.5 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 20.2 mt-30 -49.92 -18.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -64.38 -34.26 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -117.67 -44.65 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 68' ' ' ILE . 96.3 t -77.44 118.13 69.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.36 154.58 36.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HA ' HD11 ' A' ' 68' ' ' ILE . 54.0 Cg_endo -69.8 -20.76 34.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -85.21 -28.21 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.48 20.83 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.796 HG22 ' HG2' ' A' ' 98' ' ' ARG . 2.6 pp -142.72 167.91 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.45 161.5 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 94' ' ' VAL . 22.1 tp -113.38 125.88 54.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mm -114.64 129.93 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.697 ' HB3' HD21 ' A' ' 77' ' ' LEU . 52.9 t80 -140.62 141.38 35.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 4.7 t 54.33 25.82 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.68 26.15 61.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -153.22 136.56 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.07 132.07 47.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 72' ' ' TYR . 15.8 mt -92.34 119.27 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -66.35 159.75 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -90.86 28.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -122.41 -26.09 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HG3' ' CE2' ' A' ' 85' ' ' PHE . 6.2 mp0 -85.4 177.5 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 ' H ' ' CB ' ' A' ' 85' ' ' PHE . 3.0 p -128.57 173.56 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 45' ' ' TYR . 1.1 mm? -54.05 -53.5 52.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.28 -34.7 77.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' GLN . 8.4 t80 -52.18 -45.36 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -90.22 -22.64 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 89' ' ' GLN . . . 86.69 29.45 23.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 72' ' ' TYR . 37.1 mt -65.48 155.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 21.2 mp0 -122.72 149.5 56.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.709 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.525 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.76 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.54 -11.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 p -66.02 -178.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -131.3 116.27 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 70' ' ' LEU . 3.6 m -101.62 131.3 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.8 141.65 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 54' ' ' ILE . 47.7 t -100.95 137.7 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER -132.91 124.63 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.796 ' HG2' HG22 ' A' ' 68' ' ' ILE . 11.3 mtp-105 -72.17 155.87 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -74.6 -55.29 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' TRP . 15.2 t -158.5 109.6 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' SER . 16.3 t-105 -35.25 149.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 m -64.52 179.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.14 86.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -29.38 23.77 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.9 m -53.95 -45.69 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -93.75 44.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -76.93 -50.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -163.73 110.35 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.99 -155.07 12.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -147.47 157.91 43.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -128.82 170.1 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.16 -167.79 25.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 mtt -123.58 94.5 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -85.13 151.03 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.15 -43.47 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . 50.4 m 43.57 24.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . 24.8 t70 -36.24 -35.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.693 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.2 t-105 -88.0 121.12 30.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -129.84 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.07 153.94 46.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 27' ' ' LYS . . . -100.14 140.25 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 58' ' ' LEU . 89.4 t -121.45 125.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -120.34 138.68 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 22' ' ' GLN . 5.3 tp -91.04 102.29 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -39.41 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.07 -37.29 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.593 ' HG3' HD23 ' A' ' 19' ' ' LEU . 52.6 mt-30 -119.69 93.67 47.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.73 24.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -98.94 -34.59 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.66 151.91 0.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.72 13.96 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 16.3 ttmt -84.63 152.21 23.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.07 106.88 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.7 mm -78.75 120.92 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD12 ' NZ ' ' A' ' 57' ' ' LYS . 11.8 tp -104.1 141.87 35.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -122.15 96.48 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 13' ' ' TRP . 3.5 pp -63.32 151.66 86.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.76 33.35 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.29 162.12 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -131.3 146.05 52.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.37 -39.15 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -40.84 -53.46 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.0 -166.16 29.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' TYR . 3.0 pp20? -94.4 -37.6 11.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -39.62 160.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' TYR . 21.2 t -33.43 103.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.655 HD13 ' CE2' ' A' ' 45' ' ' TYR . 41.6 mt -38.85 -65.31 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.41 74.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.37 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.655 ' CE2' HD13 ' A' ' 42' ' ' LEU . 21.1 m-85 -49.07 138.97 11.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' ILE . 22.5 p -89.53 126.53 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' SER . 44.7 mm -36.78 -43.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 p -49.28 -48.03 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 53' ' ' LEU . 36.2 t80 -47.16 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' LEU . 17.7 mt -43.48 -60.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 79.3 mttt -36.31 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' LEU . 21.3 mt-30 -79.11 -44.8 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 49' ' ' PHE . 5.0 mp -61.99 -51.62 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.9 mp -57.47 -56.85 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.62 -37.66 28.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.93 -31.85 64.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' NZ ' HD12 ' A' ' 30' ' ' LEU . 10.8 mmtp -81.97 -30.15 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 17' ' ' VAL . 23.4 mt -102.27 26.03 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.7 -18.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.7 pt-20 -62.29 -39.9 94.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 3.4 m -113.86 -43.26 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG13 HG21 ' A' ' 68' ' ' ILE . 49.2 t -70.59 119.09 70.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.741 2.294 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.54 151.37 28.64 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -17.97 37.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -87.04 -30.85 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.69 27.07 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 62' ' ' VAL . 2.7 pp -141.74 171.27 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.69 170.88 14.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -116.46 133.19 56.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . 41.7 mm -122.5 129.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.809 ' HD2' HG12 ' A' ' 94' ' ' VAL . 33.5 t80 -142.85 140.6 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . 8.3 t 55.22 37.96 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.02 31.91 82.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -158.01 135.07 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 13.2 ttpp -69.6 147.85 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 86' ' ' TYR . 9.5 mt -110.71 127.02 55.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 81' ' ' GLN . 3.4 ptpt -61.56 174.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -101.11 13.94 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.34 -9.89 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' CG ' ' A' ' 85' ' ' PHE . 15.0 mm-40 -88.11 -178.08 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.0 p -128.77 164.27 23.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.92 -37.2 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' PHE . 18.0 t70 -71.12 -51.14 26.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 32.4 t80 -34.02 -56.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 77' ' ' LEU . 48.8 m-85 -76.82 -30.97 56.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . 96.71 37.71 4.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -81.82 133.03 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.52 155.07 44.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.521 ' HB3' ' CD2' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.8 -24.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -65.3 -175.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -131.95 118.42 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.809 HG12 ' HD2' ' A' ' 72' ' ' TYR . 13.8 m -100.66 144.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -101.85 146.64 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.497 HG21 HG21 ' A' ' 54' ' ' ILE . 47.8 t -113.12 136.0 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 97' ' ' LEU . 1.5 tm? -128.05 121.33 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 98' ' ' ARG . 0.7 OUTLIER -70.01 121.02 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -50.1 155.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' TRP . 21.7 t -80.05 45.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 104' ' ' PRO . 3.0 t90 -36.85 -65.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.442 ' HB2' ' CE2' ' A' ' 101' ' ' TRP . 1.8 m -174.33 178.51 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -121.46 88.87 0.42 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 101' ' ' TRP . 53.0 Cg_endo -69.8 2.36 3.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -88.03 -48.49 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -125.43 109.36 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -102.93 -46.02 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -50.31 171.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.02 177.67 48.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.79 145.13 47.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -153.31 170.51 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.29 45.77 3.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -110.46 156.06 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -81.57 119.46 23.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.5 mt -128.81 150.8 50.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.3 p -112.68 115.05 27.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.46 41.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.6 t-105 -77.86 124.12 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -127.44 160.21 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 tp -145.25 159.52 42.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.623 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -100.84 147.03 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.34 123.55 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -120.43 151.53 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 22' ' ' GLN . 15.4 tp -99.81 106.54 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . . . -54.53 -39.19 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.64 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HG3' HD23 ' A' ' 19' ' ' LEU . 36.6 mt-30 -126.36 92.44 45.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' GLN . 53.6 Cg_endo -69.75 -9.18 25.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -96.53 -33.33 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.93 149.97 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.143 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.6 67.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -73.41 140.47 46.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -105.72 159.08 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.15 123.29 68.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 tp -108.52 125.97 52.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -113.89 94.67 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 13' ' ' TRP . 4.3 pp -64.25 152.44 88.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 155.32 65.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -54.49 170.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 1.6 t -136.4 175.61 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HG3' HD22 ' A' ' 37' ' ' LEU . 12.1 pt-20 -80.42 -18.14 49.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD22 ' HG3' ' A' ' 36' ' ' GLU . 4.2 mm? -83.82 175.8 9.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -135.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.44 -29.11 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -47.28 172.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' LEU . 72.8 m -37.52 104.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 46.2 mt -36.03 -52.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . 37.43 68.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.11 -31.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 42' ' ' LEU . 25.3 m-85 -58.98 141.57 53.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 47' ' ' ILE . 66.7 m -92.99 127.77 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.6 mm -36.15 -49.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -42.2 -52.07 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 53' ' ' LEU . 14.7 t80 -41.8 -65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 19.6 mt -46.2 -57.43 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.22 -23.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' LEU . 24.9 mt-30 -88.26 -49.64 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 5.4 mp -59.6 -38.77 82.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.7 mt -67.57 -56.29 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.43 -31.78 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.19 -31.63 46.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -80.52 -28.13 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.67 29.39 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -51.28 -16.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -75.49 -33.48 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -113.11 -51.79 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.015 HG13 HG21 ' A' ' 68' ' ' ILE . 2.9 t -87.74 114.27 58.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -142.06 151.19 58.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.556 ' HA ' HD11 ' A' ' 68' ' ' ILE . 53.1 Cg_endo -69.8 -24.63 29.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -77.84 -26.52 49.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.06 18.23 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.015 HG21 HG13 ' A' ' 62' ' ' VAL . 2.4 pp -144.93 172.0 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -136.34 152.59 50.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -103.85 126.45 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.94 132.93 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 81.7 t80 -141.84 138.04 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.463 ' SG ' ' CE2' ' A' ' 72' ' ' TYR . 3.9 m 56.94 25.14 10.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 16.57 78.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.535 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -140.45 130.26 24.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -62.01 141.85 57.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 72' ' ' TYR . 34.7 mt -103.26 129.47 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -96.47 161.42 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.68 5.8 10.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -90.95 -17.41 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.585 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 3.9 mp0 -109.69 -177.5 3.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 p -131.55 -179.5 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.84 -46.03 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -45.21 79.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' HG2' ' A' ' 81' ' ' GLN . 21.9 t80 -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -92.91 -21.83 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.92 36.51 11.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 89' ' ' GLN . 22.1 mt -69.91 151.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 88' ' ' ILE . 24.1 mp0 -119.57 151.28 51.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.602 0.715 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.3 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.58 7.23 13.83 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.89 -178.66 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.623 HG23 ' CB ' ' A' ' 16' ' ' ALA . 2.4 m -134.96 134.86 40.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -104.33 168.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 94.8 m-70 -131.18 131.48 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 t -97.39 125.17 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -107.7 126.55 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' HG22 ' A' ' 68' ' ' ILE . 5.3 mmm180 -77.53 131.65 37.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.01 -67.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -147.21 156.79 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 102' ' ' SER . 7.1 t90 -75.36 157.3 34.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.51 ' N ' ' CD1' ' A' ' 101' ' ' TRP . 69.6 m -37.91 156.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.72 110.44 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m 71.78 45.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -90.83 106.27 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.977 . . . . . . . . 0 0 . 1 stop_ save_